Sophoradiol

CAS Registry Number®

6822-47-5

CAS Name

Sophoradiol

Molecular Formula

C30H50O2

Molecular Mass

442.72

Cite this Page

Sophoradiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6822-47-5 (retrieved 2024-11-22) (CAS RN: 6822-47-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231-233 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24+,27+,28-,29+,30+/m0/s1

InChIKey

InChIKey=ZEGUWBQDYDXBNS-FVFJQADASA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O)CC3)[H])(CC=C4[C@@]2(C)CC[C@]5(C)[C@]4(CC(C)(C)C[C@H]5O)[H])[H]

Canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CC(O)C5(C)CCC43C)C1(C)C

Other Names for this Substance

  • Olean-12-ene-3,22-diol, (3β,22β)-
  • Olean-12-ene-3β,22β-diol
  • Sophoradiol
  • (3β,22β)-Olean-12-ene-3,22-diol

CAS INSIGHTSTM
Hourglass and a clock