Lup-20(29)-ene-3,16-diol, (3β,16β)-

CAS Registry Number®

10070-48-1
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CAS Name

Lup-20(29)-ene-3,16-diol, (3β,16β)-

Molecular Formula

C30H50O2

Molecular Mass

442.72

Cite this Page

Lup-20(29)-ene-3,16-diol, (3β,16β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10070-48-1 (retrieved 2024-05-04) (CAS RN: 10070-48-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-219 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H50O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=AJBZENLMTKDAEK-SKESNUHASA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@@]4([C@@](C)([C@@H](O)C3)CC[C@H]4C(C)=C)[H])(CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O)CC5)[H])[H])[H]

Canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)C(O)CC43C)C1(C)C

Other Names for this Substance

  • Lup-20(29)-ene-3,16-diol, (3β,16β)-
  • Lup-20(30)-ene-3β,16β-diol
  • Calenduladiol
  • Thurberin
  • NSC 133914

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Deleted or Replaced CAS Registry Numbers

1409-68-3, 19769-92-7

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