(2α,3β)-Lup-20(29)-ene-2,3,28-triol

CAS Registry Number®

169134-54-7
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CAS Name

(2α,3β)-Lup-20(29)-ene-2,3,28-triol

Molecular Formula

C30H50O3

Molecular Mass

458.72

Cite this Page

(2α,3β)-Lup-20(29)-ene-2,3,28-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=169134-54-7 (retrieved 2024-09-19) (CAS RN: 169134-54-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    254-256 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=YTLCVRQYWKFDSE-MYBCYQINSA-N

SMILES

C(O)[C@]12[C@@]([C@@]3([C@](C)([C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)[C@H](O)C5)[H])[H])CC1)[H])([C@H](C(C)=C)CC2)[H]

Canonical SMILES

OCC12CCC(C(=C)C)C2C3CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Lup-20(29)-ene-2,3,28-triol, (2α,3β)-
  • (2α,3β)-Lup-20(29)-ene-2,3,28-triol
  • Lup-20(29)-ene-2α,3β,28-triol
  • 2-Hydroxybetulin