Urs-12-en-3-ol, 3-(3-phenyl-2-propenoate), (3β)-

CAS Registry Number®

13161-35-8

CAS Name

Urs-12-en-3-ol, 3-(3-phenyl-2-propenoate), (3β)-

Molecular Formula

C39H56O2

Molecular Mass

556.86

Cite this Page

Urs-12-en-3-ol, 3-(3-phenyl-2-propenoate), (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13161-35-8 (retrieved 2024-11-25) (CAS RN: 13161-35-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H56O2/c1-26-18-21-36(5)24-25-38(7)29(34(36)27(26)2)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-28-12-10-9-11-13-28/h9-15,17,26-27,30-32,34H,16,18-25H2,1-8H3/t26-,27+,30+,31-,32+,34+,36-,37+,38-,39-/m1/s1

InChIKey

InChIKey=SKSWXHZBFRPYAH-MXHFLWJQSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@H](C)[C@@H]4C)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](OC(C=CC6=CC=CC=C6)=O)CC5)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)CCC43C)C1(C)C)C=CC=6C=CC=CC6

Other Names for this Substance

  • Urs-12-en-3-ol, 3-(3-phenyl-2-propenoate), (3β)-
  • Urs-12-en-3β-ol, cinnamate
  • Urs-12-en-3-ol, 3-phenyl-2-propenoate, (3β)-
  • α-Amyrin cinnamate

CAS INSIGHTSTM
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