| SpectraBase Compound ID | 4Hwn3pPVwr6 |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | NUHIVWGZNPMOCV-JEKZNAHMSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A5yxZWeVYyI |
|---|---|
| Name | Cholest-5-ene-3,16,26-triol, (3.beta.,16.beta.)- |
| CAS Registry Number | 79057-37-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | NUHIVWGZNPMOCV-JEKZNAHMSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@](CCCC(CO)C)(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-0uk9-0051900000-7e734e59b8ed18d9d6a7 |
| Source of Spectrum | F-37-602-0 |
| Synonyms | (3beta,16beta)-cholest-5-ene-3,16,26-triol Cholest-5-en-3.beta.,16.beta.,26-triol (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol (3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol |
| Wiley ID | 1377450 |