Δ3,5-Deoxytigogenin

CAS Registry Number®

1672-65-7
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CAS Name

Δ3,5-Deoxytigogenin

Molecular Formula

C27H40O2

Molecular Mass

396.61

Cite this Page

Δ3,5-Deoxytigogenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1672-65-7 (retrieved 2024-09-19) (CAS RN: 1672-65-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=YEQBGJNMHDZXRG-ASBKZRTJSA-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=CCC6)[H])[H])[H])[H])[H])CC[C@@H](C)CO2

Canonical SMILES

O1CC(C)CCC12OC3CC4C5CC=C6C=CCCC6(C)C5CCC4(C)C3C2C

Other Names for this Substance

  • Spirosta-3,5-diene, (25R)-
  • 25D-Spirosta-3,5-diene
  • (25R)-Spirosta-3,5-diene
  • 25α-Spirosta-3,5-diene
  • 3-Deoxy-Δ3-diosgenin

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