(20α)-3-Oxoolean-12-en-29-oic acid
CAS Registry Number®
76094-29-6
CAS Name
(20α)-3-Oxoolean-12-en-29-oic acidMolecular Formula
C30H46O3Molecular Mass
454.68Cite this Page
(20α)-3-Oxoolean-12-en-29-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=76094-29-6 (retrieved ) (CAS RN: 76094-29-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
247-250 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C30H46O3/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/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,26+,27+,28-,29+,30+/m0/s1
InChIKey
InChIKey=CGZZFWMLSVHLFZ-FUQFICMISA-N
SMILES
C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)C(=O)CC3)[H])(CC=C4[C@@]2(C)CC[C@]5(C)[C@]4(C[C@@](C(O)=O)(C)CC5)[H])[H]
Canonical SMILES
O=C(O)C1(C)CCC2(C)CCC3(C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1)C
Other Names for this Substance
- Olean-12-en-29-oic acid, 3-oxo-, (20α)-
- (20α)-3-Oxoolean-12-en-29-oic acid
- Katononic acid
- 3-Oxoolean-12-en-29-oic acid