| SpectraBase Compound ID | D1go1j0rUnr |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h18-19,21-27,31H,7-17H2,1-6H3 |
| InChIKey | KDJPNDQOTCHXMI-UHFFFAOYSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 48G3k0ZRTIT |
|---|---|
| Name | Cholestane-3,7-diol, 3-acetate, (3.beta.,5.alpha.,7.beta.)- |
| CAS Registry Number | 40823-16-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h18-19,21-27,31H,7-17H2,1-6H3 |
| InChIKey | KDJPNDQOTCHXMI-UHFFFAOYSA-N |
| Molecular Weight | 446.716 g/mol |
| SMILES | OC1C2C3CCC(C(CCCC(C)C)C)C3(CCC2C2(C(C1)CC(CC2)OC(=O)C)C)C |
| SPLASH | splash10-004i-1893500000-d3557d0cc2a39ecf6cd2 |
| Source of Spectrum | AD-0-1537-0 |
| Synonyms | 7-Hydroxycholestan-3-yl acetate Acetic acid [7-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [7-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1386808 |