Olean-12-ene-3,16,21,22,23,28-hexol, 22-(2-methyl-2-butenoate), [3β,4α,16α,21β,22α(Z)]-

CAS Registry Number®

200492-44-0
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CAS Name

Olean-12-ene-3,16,21,22,23,28-hexol, 22-(2-methyl-2-butenoate), [3β,4α,16α,21β,22α(Z)]-

Molecular Formula

C35H56O7

Molecular Mass

588.81

Cite this Page

Olean-12-ene-3,16,21,22,23,28-hexol, 22-(2-methyl-2-butenoate), [3β,4α,16α,21β,22α(Z)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=200492-44-0 (retrieved 2024-09-19) (CAS RN: 200492-44-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H56O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,22-28,36-40H,11-19H2,1-8H3/b20-9-/t22-,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1

InChIKey

InChIKey=BKBHDJLHSWOMFP-UYSNZYMISA-N

SMILES

C(O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](CO)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)[C@@H](O)[C@@H]2OC(/C(=C\C)/C)=O)[H]

Canonical SMILES

O=C(OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO)C(=CC)C

Other Names for this Substance

  • Olean-12-ene-3,16,21,22,23,28-hexol, 22-(2-methyl-2-butenoate), [3β,4α,16α,21β,22α(Z)]-