| SpectraBase Compound ID | IOmynoPNz0C |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15,17-21H,5-14H2,1-4H3/t15-,17+,18-,19+,20+,21+,24-,25-/m1/s1 |
| InChIKey | DSADZYPPAGRNLW-XCVUNFFJSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzMpXNbooRE |
|---|---|
| Name | Cholan-24-oic acid, 3,6-dioxo-, methyl ester, (5.beta.)- |
| Alternate Name(s) | Methyl (5beta)-3,6-dioxocholan-24-oate (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-bis(oxidanylidene)-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| CAS Registry Number | 1175-04-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15,17-21H,5-14H2,1-4H3/t15-,17+,18-,19+,20+,21+,24-,25-/m1/s1 |
| InChIKey | DSADZYPPAGRNLW-XCVUNFFJSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCC(=O)OC)(C)[H])[H])[H])([H])CC([C@@]2(CC(CC1)=O)[H])=O)[H])C |
| SPLASH | splash10-052r-0931000000-16b839abdb6ce46e23d8 |
| Source of Spectrum | W5-33714-31822-31822 |
| Wiley ID | 1370549 |