11-Deoxo-18beta-glycyrrhetic acid

CAS

564-16-9

Catalog Number

ACM564169

Category

Other Products

Molecular Weight

456.70

Molecular Formula

C₃₀H₄₈O₃

MSDS COA Spec Sheet

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Specification

Synonyms

Epikatonic acid, Katonic acid, CID636467, (3beta,5xi,9xi,18xi)-3-hydroxyolean-12-en-29-oic acid, olean-12-en-29-oic acid, 3-hydroxy-, (3beta,5xi,9xi,18xi)-, 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a, 12b,13,14b-eicosahydro-picene-2-carboxylic acid, 564-16-9, InChI=1/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23-,26+,27+,28-,29+,30+/m0/s

IUPAC Name

(2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid

Canonical SMILES

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

InChI Key

JZFSMVXQUWRSIW-IHSKASNOSA-N

Boiling Point

552.7ºC at 760mmHg

Flash Point

302.1ºC

Density

1.1g/cm³

Exact Mass

456.36000