(3β,6β)-Olean-12-ene-3,6-diol

CAS Registry Number®

41498-79-7
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CAS Name

(3β,6β)-Olean-12-ene-3,6-diol

Molecular Formula

C30H50O2

Molecular Mass

442.72

Cite this Page

(3β,6β)-Olean-12-ene-3,6-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41498-79-7 (retrieved 2024-05-02) (CAS RN: 41498-79-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=JYNBNJRQZZSLPN-NYVWVNPOSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@]([C@H](O)C1)(C(C)(C)[C@@H](O)CC3)[H])(CC=C4[C@@]2(C)CC[C@]5(C)[C@]4(CC(C)(C)CC5)[H])[H]

Canonical SMILES

OC1CC2(C)C(CC=C3C4CC(C)(C)CCC4(C)CCC32C)C5(C)CCC(O)C(C)(C)C15

Other Names for this Substance

  • Olean-12-ene-3,6-diol, (3β,6β)-
  • (3β,6β)-Olean-12-ene-3,6-diol
  • Daturadiol

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