(25S)-Spirosta-3,5-diene

CAS Registry Number®

37064-21-4
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CAS Name

(25S)-Spirosta-3,5-diene

Molecular Formula

C27H40O2

Molecular Mass

396.61

Cite this Page

(25S)-Spirosta-3,5-diene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37064-21-4 (retrieved 2024-09-19) (CAS RN: 37064-21-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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+/m0/s1

InChIKey

InChIKey=YEQBGJNMHDZXRG-LLKVSFPLSA-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, (25S)-
  • (25S)-Spirosta-3,5-diene
  • 25β-Spirosta-3,5-diene
  • Δ3,5-Deoxyneotigogenin