(25S)-Spirosta-3,5-diene
CAS Registry Number®
37064-21-4
CAS Name
(25S)-Spirosta-3,5-dieneMolecular Formula
C27H40O2Molecular Mass
396.61Cite 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 ) (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