Urs-12-en-28-oic acid, 3-(acetyloxy)-11-methoxy-, methyl ester, (3β,11α)-
CAS Registry Number®
189139-96-6
CAS Name
Urs-12-en-28-oic acid, 3-(acetyloxy)-11-methoxy-, methyl ester, (3β,11α)-Molecular Formula
C34H54O5Molecular Mass
542.79Cite this Page
Urs-12-en-28-oic acid, 3-(acetyloxy)-11-methoxy-, methyl ester, (3β,11α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=189139-96-6 (retrieved ) (CAS RN: 189139-96-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H54O5/c1-20-11-16-34(29(36)38-10)18-17-32(7)23(27(34)21(20)2)19-24(37-9)28-31(6)14-13-26(39-22(3)35)30(4,5)25(31)12-15-33(28,32)8/h19-21,24-28H,11-18H2,1-10H3/t20-,21+,24-,25+,26+,27+,28-,31+,32-,33-,34+/m1/s1
InChIKey
InChIKey=URPWCDDDSKJTOF-DGTXMJNGSA-N
SMILES
C(OC)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@]([C@H](OC)C3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](OC(C)=O)CC5)[H])[H])([C@@H](C)[C@H](C)CC2)[H]
Canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2C(OC)C=C4C5C(C)C(C)CCC5(C(=O)OC)CCC43C)C1(C)C)C
Other Names for this Substance
- Urs-12-en-28-oic acid, 3-(acetyloxy)-11-methoxy-, methyl ester, (3β,11α)-
- Methyl 3β-acetoxy-11α-methoxyurs-12-en-28-oate
- 3-O-Acetylrobustanic acid methyl ester