| SpectraBase Compound ID | DpZBbe7E1eF |
|---|---|
| InChI | InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,13,15,19-20,23-25H,6,8-9,11-12,14,16-17H2,1-5H3/t19-,20?,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | MJXDCFUFWCHKBM-BZTUEVPBSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C27H40O |
| Exact Mass | 380.307916 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Azd9kSJgTwW |
|---|---|
| Name | 5.beta.-cholesta-1,4,7-trien-3-one |
| Alternate Name(s) | Cholesta-1,4,7-trien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O |
| InChI | InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,13,15,19-20,23-25H,6,8-9,11-12,14,16-17H2,1-5H3/t19-,20?,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | MJXDCFUFWCHKBM-BZTUEVPBSA-N |
| Molecular Weight | 380.616 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CCC=C(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(C=CC(CC2CC1)=O)C)[H])[H] |
| SPLASH | splash10-066r-0292000000-7cea6342e06f201798c0 |
| Source of Spectrum | F-49-2496-23 |
| Wiley ID | 1360018 |