(3β,16α)-Urs-12-ene-3,16-diol
CAS Registry Number®
31575-82-3
CAS Name
(3β,16α)-Urs-12-ene-3,16-diolMolecular Formula
C30H50O2Molecular Mass
442.72Cite this Page
(3β,16α)-Urs-12-ene-3,16-diol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=31575-82-3 (retrieved ) (CAS RN: 31575-82-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h9,18-19,21-25,31-32H,10-17H2,1-8H3/t18-,19+,21+,22-,23+,24-,25+,27+,28-,29-,30-/m1/s1
InChIKey
InChIKey=VJFLMYRRJUWADI-DBHRHCOISA-N
SMILES
C[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](O)CC4)[H])(CC=C1[C@]5([C@@](C)([C@H](O)C2)CC[C@@H](C)[C@@H]5C)[H])[H]
Canonical SMILES
OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)C(O)CC43C)C1(C)C
Other Names for this Substance
- Urs-12-ene-3,16-diol, (3β,16α)-
- Urs-12-ene-3β,16α-diol
- (3β,16α)-Urs-12-ene-3,16-diol
- 3β,16α-Dihydroxyurs-12-ene