Neotigogenin

CAS Registry Number®

470-01-9

CAS Name

Neotigogenin

Molecular Formula

C27H44O3

Molecular Mass

416.64

Cite this Page

Neotigogenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=470-01-9 (retrieved 2025-05-04) (CAS RN: 470-01-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

InChIKey

InChIKey=GMBQZIIUCVWOCD-PUHUBZITSA-N

SMILES

C[C@@H]1[C@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)[C@@](CC5)(C[C@@H](O)CC6)[H])[H])[H])[H])[H])[H])CC[C@H](C)CO2

Canonical SMILES

OC1CCC2(C)C(CCC3C2CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C1

Other Names for this Substance

  • Spirostan-3-ol, (3β,5α,25S)-
  • Neotigogenin
  • 5α-Spirostan-3β-ol, (25S)-
  • (3β,5α,25S)-Spirostan-3-ol
  • 25β-Tigogenin

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CAS INSIGHTSTM
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