CAS No.: 126544-47-6 — - (Ciclesonide)

1. Primary Information

English name:	-
CAS No.:	126544-47-6
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	(R)-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with cyclohexanecarboxaldehyde, 21-isobutyrate Alvesco ciclesonide Omnaris

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	HPLC≥99%	1224	2-8℃	in stock	-
Kehua Intelligence	5mg	99%	196	2-8℃	in stock	-
Kehua Intelligence	10mg	99%	360	2-8℃	in stock	-
Kehua Intelligence	50mg	99%	960	2-8℃	in stock	-
Kehua Intelligence	100mg	99%	1600	2-8℃	in stock	-
Kehua Intelligence	500mg	99%	3840	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 83 88 0 1 0 0 0 0 0999 V2000 1.6181 -0.9839 0.0617 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 -2.3726 1.9506 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5294 3.1989 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4964 0.4367 2.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5226 1.6327 0.0417 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1054 0.0497 -2.5889 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 3.1259 -1.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 0.7753 1.0828 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8888 -0.2761 1.3441 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3026 0.3198 1.3804 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4653 -0.1311 1.1926 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6055 0.9857 -0.0090 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1579 -1.0749 2.3602 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3719 -1.0428 2.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 1.3837 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 1.9679 -0.4551 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0848 1.5347 -0.0924 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3366 -0.7725 1.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2801 1.8818 2.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -2.2653 0.5822 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7670 0.6033 1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7692 -0.2605 1.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0187 0.3784 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 2.7129 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2765 -3.3556 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 2.0400 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1221 1.5506 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 -0.0946 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -3.2739 -1.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -4.7434 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3318 1.5726 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2135 0.4766 -1.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0605 -4.3875 -2.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9479 -5.8545 -0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -5.7648 -1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 2.4657 -0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4905 2.4398 -1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9510 1.3284 -1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 3.7927 -1.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 -0.9984 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 1.0746 2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 0.1627 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 -0.8284 3.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 -0.5019 3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8039 -2.0466 2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 0.6173 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 2.1779 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 2.2111 -1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 -1.1619 2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 -1.6189 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6339 1.4990 3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 2.6855 1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6868 2.3492 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0566 -2.3713 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -1.0978 1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9595 0.4637 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0241 2.5295 1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4573 2.9098 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 3.6468 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -3.1975 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7727 2.8667 -1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8549 3.7894 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 2.5405 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 1.1769 -0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6194 -0.9220 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 -2.3075 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 -3.3418 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6685 -4.8993 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -4.8220 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4909 1.9906 -3.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 -4.2367 -2.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -4.3359 -3.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -6.8305 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 -5.7890 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8347 -6.5329 -2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -5.9739 -2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 2.2474 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5736 0.3562 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 1.4887 -2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0438 1.2739 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7176 4.0391 -2.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6839 4.5920 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1332 3.7954 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 62 1 0 0 0 0 4 21 2 0 0 0 0 5 27 1 0 0 0 0 5 36 1 0 0 0 0 6 32 2 0 0 0 0 7 36 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 26 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 25 1 0 0 0 0 20 54 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 28 2 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 25 60 1 0 0 0 0 26 31 2 0 0 0 0 26 61 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 32 1 0 0 0 0 28 65 1 0 0 0 0 29 33 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 34 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 33 35 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-methylpropanoate

4.2 InChI

InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1

4.3 InChIKey

LUKZNWIVRBCLON-GXOBDPJESA-N

4.4 Canonical SMILES

CC(C)C(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC(O2)C6CCCCC6

4.5 Isomeric SMILES

CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

Coming soon

5.2 ¹H nuclear magnetic resonance (¹H NMR)

Coming soon

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)