| SpectraBase Compound ID | CEDKv8doV3q |
|---|---|
| InChI | InChI=1S/C25H38O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h7,16-17,20-22H,5-6,8-15H2,1-4H3/t16-,17-,20-,21+,22+,24+,25-/m1/s1 |
| InChIKey | BYCDWBWBIQQDRC-KSTBNIIGSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C25H38O3 |
| Exact Mass | 386.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hpb1rJoB1t9 |
|---|---|
| Name | 24-Methyl-3-oxo-5.beta.-chol-7-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O3 |
| InChI | InChI=1S/C25H38O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h7,16-17,20-22H,5-6,8-15H2,1-4H3/t16-,17-,20-,21+,22+,24+,25-/m1/s1 |
| InChIKey | BYCDWBWBIQQDRC-KSTBNIIGSA-N |
| Molecular Weight | 386.576 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CCC(=O)OC)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CCC(C[C@]2(CC1)[H])=O)C)[H])[H] |
| SPLASH | splash10-0uy0-0019000000-6ed919d4ef8f0db3ee59 |
| Source of Spectrum | F-49-2492-12 |
| Synonyms | (4R)-4-[(5R,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester (4R)-4-[(5R,9R,10S,13R,14R,17R)-3-keto-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(5R,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(5R,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| Wiley ID | 1362932 |