Urs-12-ene-3,16,21-triol
CAS Registry Number®
52084-05-6
CAS Name
Urs-12-ene-3,16,21-triolMolecular Formula
C30H50O3Molecular Mass
458.72Cite this Page
Urs-12-ene-3,16,21-triol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=52084-05-6 (retrieved ) (CAS RN: 52084-05-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H50O3/c1-17-18(2)25-19-9-10-22-27(5)13-12-23(32)26(3,4)21(27)11-14-29(22,7)30(19,8)16-24(33)28(25,6)15-20(17)31/h9,17-18,20-25,31-33H,10-16H2,1-8H3/t17-,18-,20?,21-,22+,23?,24?,25-,27-,28+,29+,30+/m0/s1
InChIKey
InChIKey=ILMQWRCMVKIVFV-QEPQYEFZSA-N
SMILES
C[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)(C(C)(C)C(O)CC4)[H])(CC=C1[C@]5([C@@](C)(C(O)C2)CC(O)[C@@H](C)[C@@H]5C)[H])[H]
Canonical SMILES
OC1CC2(C)C(O)CC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C(C)C1C)C
Other Names for this Substance
- Urs-12-ene-3,16,21-triol
- 3,16,21-Trihydroxy-12-ursene