Stigmast-5-ene-3,26-diol, 26-benzoate, (3β)-

CAS Registry Number®

234429-47-1
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CAS Name

Stigmast-5-ene-3,26-diol, 26-benzoate, (3β)-

Molecular Formula

C36H54O3

Molecular Mass

534.81

Cite this Page

Stigmast-5-ene-3,26-diol, 26-benzoate, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=234429-47-1 (retrieved 2024-09-22) (CAS RN: 234429-47-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H54O3/c1-6-26(25(3)23-39-34(38)27-10-8-7-9-11-27)13-12-24(2)31-16-17-32-30-15-14-28-22-29(37)18-20-35(28,4)33(30)19-21-36(31,32)5/h7-11,14,24-26,29-33,37H,6,12-13,15-23H2,1-5H3/t24-,25?,26-,29+,30+,31-,32+,33+,35+,36-/m1/s1

InChIKey

InChIKey=BJZQJLWLEFGCBH-DUMCEUIZSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CC[C@H](C(COC(=O)C5=CC=CC=C5)C)CC)C)[H])[H]

Canonical SMILES

O=C(OCC(C)C(CC)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C=5C=CC=CC5

Other Names for this Substance

  • Stigmast-5-ene-3,26-diol, 26-benzoate, (3β)-
  • Stigmast-5-en-3β,26-diol 26-benzoate