| SpectraBase Compound ID | KCsLWwAcCwO |
|---|---|
| InChI | InChI=1S/C29H46O6/c1-17(7-10-27(32)33-6)22-8-9-23-21-16-26(35-19(3)31)25-15-20(34-18(2)30)11-13-29(25,5)24(21)12-14-28(22,23)4/h17,20-26H,7-16H2,1-6H3 |
| InChIKey | WNTBZUNELXADHT-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 | DDKaTkOus1a |
|---|---|
| Name | Cholan-24-oic acid, 3,6-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,6.alpha.)- |
| CAS Registry Number | 1181-65-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O6 |
| InChI | InChI=1S/C29H46O6/c1-17(7-10-27(32)33-6)22-8-9-23-21-16-26(35-19(3)31)25-15-20(34-18(2)30)11-13-29(25,5)24(21)12-14-28(22,23)4/h17,20-26H,7-16H2,1-6H3 |
| InChIKey | WNTBZUNELXADHT-UHFFFAOYSA-N |
| Molecular Weight | 490.681 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCC(OC)=O)C)CC4)CC(C2CC(CC1)OC(C)=O)OC(C)=O |
| SPLASH | splash10-0pba-0920000000-74b42bf0454e4b290d42 |
| Source of Spectrum | W5-36542-28994-28994 |
| Synonyms | Cholan-24-oic acid, 3,6-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,6.beta.)- Methyl 3,6-bis(acetyloxy)cholan-24-oate 4-(3,6-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-(3,6-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 4-(3,6-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-(3,6-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 | 1397287 |