Digitogenin

CAS Registry Number®

511-34-2
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CAS Name

Digitogenin

Molecular Formula

C27H44O5

Molecular Mass

448.64

Cite this Page

Digitogenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=511-34-2 (retrieved 2024-05-20) (CAS RN: 511-34-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    280-283 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-/m1/s1

InChIKey

InChIKey=COVOPPXLDJVUSC-JPYPKGSXSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@@H](O)[C@]1([C@]4([C@](CC2)([C@]5(C)[C@@](CC4)(C[C@@H](O)[C@H](O)C5)[H])[H])[H])[H])(O[C@@]6([C@H]3C)CC[C@@H](C)CO6)[H])[H]

Canonical SMILES

OC1CC2CCC3C(CCC4(C)C3C(O)C5OC6(OCC(C)CC6)C(C)C54)C2(C)CC1O

Other Names for this Substance

  • Spirostan-2,3,15-triol, (2α,3β,5α,15β,25R)-
  • 5α-Spirostan-2α,3β,15β-triol, (25R)-
  • Digitogenin
  • (2α,3β,5α,15β,25R)-Spirostan-2,3,15-triol
  • Digitonin aglycon

Deleted or Replaced CAS Registry Numbers

1367-38-0, 11025-39-1

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