| SpectraBase Compound ID | J5BoxVEgByM |
|---|---|
| InChI | InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3 |
| InChIKey | ZKHVKSAMEUAGEN-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 | DLVulW4YKwo |
|---|---|
| Name | Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,7.alpha.)- |
| CAS Registry Number | 56085-34-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O6 |
| InChI | InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3 |
| InChIKey | ZKHVKSAMEUAGEN-UHFFFAOYSA-N |
| Molecular Weight | 490.681 g/mol |
| SMILES | C12(C3C(C(OC(C)=O)CC1CC(CC2)OC(C)=O)C1C(CC3)(C(CC1)C(CCC(OC)=O)C)C)C |
| SPLASH | splash10-05fu-9533000000-36dcc9671a1b873798f1 |
| Source of Spectrum | DV-73-577-3 |
| Synonyms | Methyl 3,7-bis(acetyloxy)cholan-24-oate 12-Desoxycholic acid diacetate methyl ester 4-(3,7-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 Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,7.alpha.)- Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,7.beta.)- 4-(3,7-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 Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,7.beta.)- Chenodesoxycholic acid diacetate methyl ester Cholane-24-oic acid, 3,7-bis-acetoxy- Methyl 4-(3,7-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-(3,7-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 Methyl diacetylchenodesoxycholate |
| Wiley ID | 1397285 |