(3β,16β)-Lup-20(29)-ene-3,16,28-triol

CAS Registry Number®

61229-18-3
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CAS Name

(3β,16β)-Lup-20(29)-ene-3,16,28-triol

Molecular Formula

C30H50O3

Molecular Mass

458.72

Cite this Page

(3β,16β)-Lup-20(29)-ene-3,16,28-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61229-18-3 (retrieved 2024-09-19) (CAS RN: 61229-18-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=TWKNDDJHVQUEJF-NXUDHOIXSA-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])[H])([C@H](C(C)=C)CC2)[H]

Canonical SMILES

OCC12CCC(C(=C)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Lup-20(29)-ene-3,16,28-triol, (3β,16β)-
  • (3β,16β)-Lup-20(29)-ene-3,16,28-triol
  • Lup-20(29)-ene-3β,16β,28-triol
  • Heliantriol B2
  • NSC 294921