Schottenone
CAS Registry Number®
77790-54-6
CAS Name
SchottenoneMolecular Formula
C29H48OMolecular Mass
412.69Cite this Page
Schottenone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=77790-54-6 (retrieved ) (CAS RN: 77790-54-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-22,25-27H,7-10,12-18H2,1-6H3/t20-,21-,22+,25-,26+,27+,28+,29-/m1/s1
InChIKey
InChIKey=JWANJDUXWSJWER-KMCRJJFKSA-N
SMILES
C[C@@]12[C@](C=3[C@@]([C@]4(C)[C@@](CC3)(CC(=O)CC4)[H])(CC1)[H])(CC[C@@]2([C@@H](CC[C@H](C(C)C)CC)C)[H])[H]
Canonical SMILES
O=C1CCC2(C)C3C(=CCC2C1)C4CCC(C(C)CCC(CC)C(C)C)C4(C)CC3
Other Names for this Substance
- Stigmast-7-en-3-one, (5α)-
- Schottenone
- (5α)-Stigmast-7-en-3-one