| SpectraBase Compound ID | gb8RFxKbGu |
|---|---|
| InChI | InChI=1S/C29H46O/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/h8-9,11,19-22,25-27H,7,10,12-18H2,1-6H3/b9-8+ |
| InChIKey | DZUAZCZFSVNHEF-CMDGGOBGSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2dwXXiPXcm |
|---|---|
| Name | 5.alpha.-Stigmasta-7,22-dien-3-one |
| Alternate Name(s) | Stigmasta-7,22-dien-3-one, (5.alpha.,22E)- (22E)-Stigmasta-7,22-dien-3-one .alpha.-Spinasterone 17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Spinasterone Stigmastadienone |
| CAS Registry Number | 23455-44-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/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/h8-9,11,19-22,25-27H,7,10,12-18H2,1-6H3/b9-8+ |
| InChIKey | DZUAZCZFSVNHEF-CMDGGOBGSA-N |
| Molecular Weight | 410.686 g/mol |
| SMILES | C=12C3C(C(C(\C=C\C(C(C)C)CC)C)CC3)(C)CCC2C2(CCC(CC2CC1)=O)C |
| SPLASH | splash10-06di-0790000000-c3a16acfdd16ec82c81b |
| Source of Spectrum | KO-3-86-4 |
| Wiley ID | 1373904 |