| SpectraBase Compound ID | A3sN7qLdRaC |
|---|---|
| InChI | InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)19-9-10-20-23-21(12-14-26(19,20)4)27(5)13-11-18(28)15-22(27)24(29)25(23)30/h16-25,28-30H,6-15H2,1-5H3 |
| InChIKey | VCEUWUOZLFOWIB-UHFFFAOYSA-N |
| Mol Weight | 420.7 g/mol |
| Molecular Formula | C27H48O3 |
| Exact Mass | 420.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9s1ns4ptUmE |
|---|---|
| Name | Cholestane-3,6,7-triol |
| CAS Registry Number | 56588-31-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O3 |
| InChI | InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)19-9-10-20-23-21(12-14-26(19,20)4)27(5)13-11-18(28)15-22(27)24(29)25(23)30/h16-25,28-30H,6-15H2,1-5H3 |
| InChIKey | VCEUWUOZLFOWIB-UHFFFAOYSA-N |
| Molecular Weight | 420.678 g/mol |
| SMILES | OC1CC2C(C3C(C(C2O)O)C2C(CC3)(C(CC2)C(CCCC(C)C)C)C)(C)CC1 |
| SPLASH | splash10-0fxw-9881400000-291e1618fac10f2925a0 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Cholestane-3,6,7-triol, (3.beta.,5.alpha.,6.alpha.,7.alpha.)- Cholestane-3,6,7-triol, (3.beta.,5.alpha.,6.beta.,7.alpha.)- Cholestane-3,6,7-triol, (3.beta.,5.alpha.,6.beta.,7.beta.)- 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]phenanthrene-3,6,7-triol 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triol |
| Wiley ID | 1378145 |