| SpectraBase Compound ID | 9v58GFxFTyF |
|---|---|
| InChI | InChI=1S/C27H40O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,13,16,20-22,24-25,30H,6-8,10-12,14-15H2,1-5H3/b17-13+ |
| InChIKey | TZFMMLLCZBTTIT-GHRIWEEISA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C27H40O3 |
| Exact Mass | 412.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9RjAzu8YtNW |
|---|---|
| Name | Cholesta-9(11),20(22)-diene-3,23-dione, 6-hydroxy-, (5.alpha.,6.alpha.)- |
| Alternate Name(s) | (20E)-6-Hydroxycholesta-9(11),20(22)-diene-3,23-dione 10,13-dimethyl-17-[(E)-6-methyl-4-oxidanylidene-hept-2-en-2-yl]-6-oxidanyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-[(E)-1,5-dimethyl-3-oxo-hex-1-enyl]-6-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 6-Hydroxy-10,13-dimethyl-17-[(E)-6-methyl-4-oxohept-2-en-2-yl]-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 6-Hydroxy-17-[(E)-3-keto-1,5-dimethyl-hex-1-enyl]-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 50676-99-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O3 |
| InChI | InChI=1S/C27H40O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,13,16,20-22,24-25,30H,6-8,10-12,14-15H2,1-5H3/b17-13+ |
| InChIKey | TZFMMLLCZBTTIT-GHRIWEEISA-N |
| Molecular Weight | 412.614 g/mol |
| SMILES | OC1CC2C3CCC(\C(=C\C(CC(C)C)=O)C)C3(CC=C2C2(CCC(CC12)=O)C)C |
| SPLASH | splash10-059l-9541000000-d12e2d8f17dc4172e22b |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1374643 |