(+)-Hecogenin

CAS Registry Number®

467-55-0
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CAS Name

(+)-Hecogenin

Molecular Formula

C27H42O4

Molecular Mass

430.62

Cite this Page

(+)-Hecogenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=467-55-0 (retrieved 2024-04-28) (CAS RN: 467-55-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    266.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1

InChIKey

InChIKey=QOLRLLFJMZLYQJ-LOBDNJQFSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2=O)([C@]5(C)[C@@](CC4)(C[C@@H](O)CC5)[H])[H])[H])[H])(O[C@@]6([C@H]3C)CC[C@@H](C)CO6)[H])[H]

Canonical SMILES

O=C1CC2C(CCC3CC(O)CCC32C)C4CC5OC6(OCC(C)CC6)C(C)C5C14C

Other Names for this Substance

  • Spirostan-12-one, 3-hydroxy-, (3β,5α,25R)-
  • 5α-Spirostan-12-one, 3β-hydroxy-, (25R)-
  • 5α,25D-Spirostan-12-one, 3β-hydroxy-
  • (3β,5α,25R)-3-Hydroxyspirostan-12-one
  • Hecogenin

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Deleted or Replaced CAS Registry Numbers

1368-00-9, 27067-83-0

CAS INSIGHTSTM
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