(3β,19α,20β)-3-Hydroxyurs-12-en-28-oic acid
CAS Registry Number®
121467-37-6
CAS Name
(3β,19α,20β)-3-Hydroxyurs-12-en-28-oic acidMolecular Formula
C30H48O3Molecular Mass
456.70Cite this Page
(3β,19α,20β)-3-Hydroxyurs-12-en-28-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=121467-37-6 (retrieved ) (CAS RN: 121467-37-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey
InChIKey=WCGUUGGRBIKTOS-AHWPIGJASA-N
SMILES
C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)CC5)[H])[H])([C@H](C)[C@@H](C)CC2)[H]
Canonical SMILES
O=C(O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1
Other Names for this Substance
- Urs-12-en-28-oic acid, 3-hydroxy-, (3β,19α,20β)-
- (3β,19α,20β)-3-Hydroxyurs-12-en-28-oic acid
- Carissic acid