| SpectraBase Compound ID | 5xXJqOFPsPE |
|---|---|
| InChI | InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3 |
| InChIKey | DESKMGPXRKEZPC-UHFFFAOYSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C29H46O6 |
| Exact Mass | 490.329439 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5WHpBpDnUBJ |
|---|---|
| Name | Methyl 3,12-bis(acetyloxy)cholan-24-oate |
| CAS Registry Number | 56085-33-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O6 |
| InChI | InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3 |
| InChIKey | DESKMGPXRKEZPC-UHFFFAOYSA-N |
| Molecular Weight | 490.681 g/mol |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC1C2CCC2C1(CCC(C2)OC(=O)C)C)OC(=O)C)C |
| SPLASH | splash10-0avi-7974000000-5cac735febff0f8bf8a4 |
| Source of Spectrum | DV-73-577-4 |
| Synonyms | Cholan-24-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.alpha.,12.alpha.)- Cholan-24-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,12.alpha.)- Cholan-24-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.beta.,5.alpha.,12.alpha.)- 4-(3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 4-(3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester Methyl 3,12-diacetoxycholanate Methyl 4-(3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Wiley ID | 1397291 |