Lupeol

CAS Registry Number®

545-47-1
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CAS Name

Lupeol

Molecular Formula

C30H50O

Molecular Mass

426.72

Cite this Page

Lupeol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=545-47-1 (retrieved 2024-04-19) (CAS RN: 545-47-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    216 °C

  • Density (2)

    0.9457 g/cm³ @ Temp: 18 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1

InChIKey

InChIKey=MQYXUWHLBZFQQO-QGTGJCAVSA-N

SMILES

C[C@]12[C@@]([C@@]3([C@@](C)(CC1)CC[C@H]3C(C)=C)[H])(CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O)C5(C)C)[H])[H])[H]

Canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C

Other Names for this Substance

  • Lup-20(29)-en-3-ol, (3β)-
  • Lup-20(29)-en-3β-ol
  • Monogynol B
  • 1H-Cyclopenta[a]chrysene, lup-20(29)-en-3-ol deriv.
  • (3β)-Lup-20(29)-en-3-ol

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Deleted or Replaced CAS Registry Numbers

132473-92-8, 200123-55-3

CAS INSIGHTSTM
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