![(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one](/api/spectrum/L0N0vh62tFN/structure.png?h=300&w=458 "(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one")
| SpectraBase Compound ID | 4BwkqkNpiQI |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23H,6-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1 |
| InChIKey | FMYMXBRJEWJNNX-VHHOZFFRSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L0N0vh62tFN |
|---|---|
| Name | CHOLEST-4-EN-6-ONE |
| CAS Registry Number | 13095-36-8 |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 384.339216036 u |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23H,6-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1 |
| InChIKey | FMYMXBRJEWJNNX-VHHOZFFRSA-N |
| Molecular Weight | 384.648 g/mol |
| Nominal Mass | 384 u |
| Number of Peaks | 326 |
| SMILES | C1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC(C2=C1)=O)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C |
| SPLASH | splash10-00ec-8923000000-c5befbbea5e6808040f8 |
| Source File Reference | LMCM-17476-340W |
| Synonyms | 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-1,2,3,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-6-ONE (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-8-one |
| Wiley ID | 8_8661 |