3-Epiakebonoic acid

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6394

CAS

104777-61-9

Product Name

3-Epiakebonoic acid

Structure

Product Details

Description

3-Epiakebonoic acid isolated from the herbs of Akebia trifoliata. It has growth inhibitory activity against human tumor A549 and HeLa cell lines.

Synonyms

(3alpha)-3-Hydroxy-30-noroleana-12,20(29)-dien-28-oic acid; (4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-Hydroxy-6a,6b,9,9,12a-pen tamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13 ,14b-octadecahydro-4a(2H)-picenecarboxylic 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

440.7

Molecular Formula

C29H44O3

Canonical SMILES

CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(=C)CC5)C(=O)O)C)C)C

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

Purity

98%

Appearance

Powder

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