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

CAS Registry Number®

200492-43-9
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CAS Name

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

Molecular Formula

C35H56O6

Molecular Mass

572.82

Cite this Page

Olean-12-ene-3,16,21,22,28-pentol, 22-(2-methyl-2-butenoate), [3β,16α,21β,22α(Z)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=200492-43-9 (retrieved 2024-09-19) (CAS RN: 200492-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)30(3,4)17-22-21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(38)35(22,28)19-36/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10-/t22-,23-,24+,25-,26+,27-,28-,32-,33+,34+,35-/m0/s1

InChIKey

InChIKey=UBLRZFCEDOUFPK-MAVWQDHUSA-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(C)(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)(C)C5CCC4(C)C3(C)CC(O)C12CO)C(=CC)C

Other Names for this Substance

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