| SpectraBase Compound ID | Bh9VfpHuTFx |
|---|---|
| InChI | InChI=1S/C29H44O6/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/h12,14,17,20-25,27H,7-11,13,15-16H2,1-6H3 |
| InChIKey | CZAQECWMDFKTQA-UHFFFAOYSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C29H44O6 |
| Exact Mass | 488.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6uWL0sVPgGU |
|---|---|
| Name | Chol-11-en-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,7.alpha.)- |
| CAS Registry Number | 2284-36-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O6 |
| InChI | InChI=1S/C29H44O6/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/h12,14,17,20-25,27H,7-11,13,15-16H2,1-6H3 |
| InChIKey | CZAQECWMDFKTQA-UHFFFAOYSA-N |
| Molecular Weight | 488.665 g/mol |
| SMILES | C(OC1C2C(C3(C(C1)CC(OC(C)=O)CC3)C)C=CC1(C2CCC1C(CCC(OC)=O)C)C)(C)=O |
| SPLASH | splash10-0pba-0931000000-b9894e12a7186d4b8b36 |
| Source of Spectrum | W5-36503-29033-29033 |
| Synonyms | Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate 4-(3,7-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester Methyl 4-(3,7-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate EINECS 218-923-4 |
| Wiley ID | 1396929 |