CAS No.: 41639-83-2 — Latanoprost acid (拉坦前列腺素(游离酸))

1. Primary Information

English name:	Latanoprost acid
CAS No.:	41639-83-2
Molecular formula:	C₂₃H₃₄O₅
Molecular weight:	390.5 g/mol
SMILES:	C1C(C(C(C1O)CC=CCCCC(=O)O)CCC(CCC2=CC=CC=C2)O)O
Structural class:
Other identifiers:	PhXa 85 PhXa-85 PhXa85

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	≥90%	2320	-20℃	in stock	-
Kehua Intelligence	25mg	≥98%	1032	-20℃	in stock	-
Kehua Intelligence	100mg	≥98%	3200	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 62 63 0 1 0 0 0 0 0999 V2000 0.3427 -3.4119 -1.3928 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5429 -3.8142 0.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 1.2876 -0.8728 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 4.5487 -0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 2.3823 -1.1878 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4764 -1.7630 -0.0345 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9756 -1.4580 0.0947 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3732 -2.4358 -1.4105 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6127 -2.7336 -0.4700 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7419 -3.0800 -1.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5872 -0.5304 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1165 1.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8936 -0.9025 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 0.3213 0.1220 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8653 -0.8456 1.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 -0.0704 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5015 0.3287 1.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 0.9935 0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 1.6032 1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6667 0.6133 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 2.2142 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6943 3.5260 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3649 1.0040 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3098 -0.1296 1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7061 0.6521 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6509 -0.4815 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3490 -0.0906 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 3.3886 -0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 -2.4756 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2288 -0.6190 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -1.7125 -2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6614 -2.5861 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -4.1584 -1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 -2.6149 -2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8516 0.1905 -0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 -0.0299 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1217 -1.9343 2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8209 -0.2653 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0896 -1.3483 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -1.6482 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 -3.8412 -2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6218 0.7747 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -4.5895 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 -1.7086 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5301 -0.2307 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4637 -1.0185 0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 0.3714 1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9954 1.1404 1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 1.9655 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9937 2.0899 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 2.3249 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 1.4737 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2624 1.4856 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4477 2.3982 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 4.2595 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1608 3.9204 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8743 1.5812 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -0.4415 2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2495 0.9559 -1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1516 -1.0603 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3931 -0.3649 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5884 4.4676 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 41 1 0 0 0 0 2 9 1 0 0 0 0 2 43 1 0 0 0 0 3 14 1 0 0 0 0 3 50 1 0 0 0 0 4 28 1 0 0 0 0 4 62 1 0 0 0 0 5 28 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 15 17 2 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 28 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 25 1 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 24 58 1 0 0 0 0 25 27 2 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid

4.2 InChI

InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1

4.3 InChIKey

HNPFPERDNWXAGS-NFVOFSAMSA-N

4.4 Canonical SMILES

C1C(C(C(C1O)CC=CCCCC(=O)O)CCC(CCC2=CC=CC=C2)O)O

4.5 Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)O)CC[C@H](CCC2=CC=CC=C2)O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

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)