Tigogenin acetate

CAS Registry Number®

2530-07-6

CAS Name

Tigogenin acetate

Molecular Formula

C29H46O4

Molecular Mass

458.67

Cite this Page

Tigogenin acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2530-07-6 (retrieved 2024-12-02) (CAS RN: 2530-07-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-195 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1

InChIKey

InChIKey=LVRAKYNQYKVPIK-OMRXZHHXSA-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)([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(CCC3C2CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C1)C

Other Names for this Substance

  • Spirostan-3-ol, acetate, (3β,5α,25R)-
  • 5α-Spirostan-3β-ol, acetate, (25R)-
  • Tigogenin acetate
  • O-Acetyltigogenin

CAS INSIGHTSTM
Hourglass and a clock