3alpha-Akeboic acid

Catalog	BBC104777619
CAS	104777-61-9
Structure
Synonyms	3-Epiakebonoic acid
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	440.66
Molecular Formula	C29H44O3
Canonical SMILES	C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(=C)CC5)C(=O)O)C)C)(C)C)O
InChI	InChI=1S/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,20-23,30H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23+,26-,27+,28+,29-/m0/s1
InChI Key	XWVVPZWKCNXREE-WPLIZOQJSA-N
Purity	98%
Appearance	Solid