CAS 29070-92-6 Pachymic Acid - Analytical Products / Alfa Chemistry

CAT	APS29070926
CAS	29070-92-6
Structure
Synonyms	Lanost-8-en-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene-, (3β,16α)-, 3-O-Acetyltumulosic acid, NSC 244427, Eburica-8,24(28)-dien-21-oic acid, 3β,16α-dihydroxy-, 3-acetate (6CI), (3β,16α)-3-(Acetyloxy)-16-hydroxy-24-methylenelanost-8-en-21-oic acid, Lanost-8-en-21-oic acid, 3β,16α-dihydroxy-24-methylene-, 3-acetate (8CI), Pachymic acid
IUPAC Name	(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Molecular Weight	528.76
Molecular Formula	C33H52O5
Canonical SMILES	CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]4CC3)C(=O)O
InChI	InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1

Accurate Mass	528.3815
Format	Neat