Urs-12-en-28-oic acid, 3-(benzoyloxy)-6-oxo-, (3β)-

CAS Registry Number®

205699-24-7

CAS Name

Urs-12-en-28-oic acid, 3-(benzoyloxy)-6-oxo-, (3β)-

Molecular Formula

C37H50O5

Molecular Mass

574.79

Cite this Page

Urs-12-en-28-oic acid, 3-(benzoyloxy)-6-oxo-, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=205699-24-7 (retrieved 2024-11-05) (CAS RN: 205699-24-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H50O5/c1-22-15-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)13-14-27-34(5)17-16-28(42-31(39)24-11-9-8-10-12-24)33(3,4)30(34)26(38)21-36(27,35)7/h8-13,22-23,27-30H,14-21H2,1-7H3,(H,40,41)/t22-,23+,27-,28+,29+,30+,34-,35-,36-,37+/m1/s1

InChIKey

InChIKey=WTRSURIFLHBSLZ-PBJPUNGASA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](C(=O)C2)(C(C)(C)[C@@H](OC(=O)C6=CC=CC=C6)CC5)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(C(=O)CC3(C)C2CC=C4C5C(C)C(C)CCC5(C(=O)O)CCC43C)C1(C)C)C=6C=CC=CC6

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3-(benzoyloxy)-6-oxo-, (3β)-