CAS No.: 356-12-7 — Fluocinonide (醋酸氟轻松)

1. Primary Information

English name:	Fluocinonide
CAS No.:	356-12-7
Molecular formula:	C₂₆H₃₂F₂O₇
Molecular weight:	494.5 g/mol
SMILES:	CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C
Structural class:
Other identifiers:	Acetonide 21-Acetate, Fluocinolone FAPG, Fluocinonide Fluocinolide Fluocinolone Acetonide 21 Acetate Fluocinolone Acetonide 21-Acetate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	153	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in acetonitrile	416	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in acetonitrile	832	2-8℃	in stock	-
Kehua Intelligence	200mg	≥98%	192	2-8℃	in stock	-
Kehua Intelligence	1g	≥98%	483	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 67 71 0 1 0 0 0 0 0999 V2000 1.9057 -0.1729 -1.1881 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7282 2.4646 0.7845 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 1.0053 -1.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 3.1669 -0.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 -2.3686 1.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3714 0.8420 1.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -1.3806 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -0.9682 -2.1641 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8129 -3.5391 -0.7129 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 0.0726 0.7496 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0696 1.1466 0.5126 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4702 0.7025 0.9564 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2670 0.8603 0.2833 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8813 -0.5715 0.1397 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0509 2.2774 0.8213 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5409 2.4136 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 -1.1548 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 -1.6803 0.1907 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3557 -1.0345 0.4688 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4834 1.8407 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 -0.3195 2.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 1.4092 1.0665 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5690 0.2371 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 2.3777 -1.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2751 0.1797 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -1.5480 1.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -2.1847 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8302 -1.1653 0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0906 2.4796 -1.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 2.9047 -2.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3161 0.1921 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 -2.1750 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 -0.9841 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5787 -2.6209 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0681 -2.7044 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 1.3349 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 0.4671 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6174 2.5256 1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 2.4376 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 3.3211 0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 -0.9056 -1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -1.9772 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 -2.4182 -0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 2.6962 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 2.2157 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 0.4917 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 -1.1829 2.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -0.5861 2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 1.2101 2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1553 -2.5597 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6127 -1.6005 2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 -0.9028 2.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 -3.1005 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 -3.2314 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 -1.8803 0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -1.3003 -0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 1.8499 -2.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7673 2.1496 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 3.5145 -2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 2.8528 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 2.3101 -3.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9242 3.9543 -2.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9435 1.0679 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -3.0379 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5416 -2.5496 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3428 -3.6972 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4134 -1.9581 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 15 1 0 0 0 0 4 24 1 0 0 0 0 5 18 1 0 0 0 0 5 54 1 0 0 0 0 6 23 2 0 0 0 0 7 28 1 0 0 0 0 7 34 1 0 0 0 0 8 33 2 0 0 0 0 9 34 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 32 2 0 0 0 0 27 53 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 34 35 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate

4.2 InChI

InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1

4.3 InChIKey

WJOHZNCJWYWUJD-IUGZLZTKSA-N

4.4 Canonical SMILES

CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C

4.5 Isomeric SMILES

CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C

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)

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)