Z-Guggulsterone[Z-古古甾酮]

39025-23-5

CAS Name

Z-Guggulsterone

Molecular Formula

C₂₁H₂₈O₂

Molecular Mass

312.45

Compound Properties

• Melting Point (1)

  174-178 °C

Source(s)

• (1) Gokaraju, Ganga Raju; WO2004021975, A2, 2004, CAplus

Other Names and Identifiers

InChI

InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1

InChIKey

InChIKey=WDXRGPWQVHZTQJ-OSJVMJFVSA-N

SMILES

C[C@@]1\2[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)(CC1)[H])[H])(CC(=O)/C2=C\C)[H]

Canonical SMILES

O=C1C=C2CCC3C4CC(=O)C(=CC)C4(C)CCC3C2(C)CC1

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

137682-26-9