Hecogenin acetate

CAS Registry Number®

915-35-5
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CAS Name

Hecogenin acetate

Molecular Formula

C29H44O5

Molecular Mass

472.66

Cite this Page

Hecogenin acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=915-35-5 (retrieved 2024-04-29) (CAS RN: 915-35-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    246-248 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1

InChIKey

InChIKey=CVKZWRTYHCDWTE-RSEFXUKDSA-N

SMILES

C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CC[C@@H](C)CO4)(C[C@]1([C@]5([C@](CC2=O)([C@]6(C)[C@@](CC5)(C[C@@H](OC(C)=O)CC6)[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3C2CC(=O)C4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C1)C

Other Names for this Substance

  • Spirostan-12-one, 3-(acetyloxy)-, (3β,5α,25R)-
  • 5α-Spirostan-12-one, 3β-hydroxy-, acetate, (25R)-
  • 5α,25D-Spirostan-12-one, 3β-hydroxy-, acetate
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], spirostan-12-one deriv.
  • (3β,5α,25R)-3-(Acetyloxy)spirostan-12-one

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Deleted or Replaced CAS Registry Numbers

11034-95-0, 27040-14-8, 72341-18-5

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