Lup-20(29)-en-3-ol, 3-benzoate, (3β)-

CAS Registry Number®

1617-69-2
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CAS Name

Lup-20(29)-en-3-ol, 3-benzoate, (3β)-

Molecular Formula

C37H54O2

Molecular Mass

530.82

Cite this Page

Lup-20(29)-en-3-ol, 3-benzoate, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1617-69-2 (retrieved 2024-05-15) (CAS RN: 1617-69-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    256 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H54O2/c1-24(2)26-16-19-34(5)22-23-36(7)27(31(26)34)14-15-29-35(6)20-18-30(39-32(38)25-12-10-9-11-13-25)33(3,4)28(35)17-21-37(29,36)8/h9-13,26-31H,1,14-23H2,2-8H3/t26-,27+,28-,29+,30-,31+,34+,35-,36+,37+/m0/s1

InChIKey

InChIKey=GGGPJWXHMZSCEW-WEZIXBNWSA-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](OC(=O)C6=CC=CC=C6)C5(C)C)[H])[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C)C=6C=CC=CC6

Other Names for this Substance

  • Lup-20(29)-en-3-ol, 3-benzoate, (3β)-
  • Lup-20(29)-en-3β-ol, benzoate
  • Lup-20(29)-en-3-ol, benzoate, (3β)-
  • Lup-20(30)-en-3β-ol, benzoate
  • Lupeol benzoate

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