| SpectraBase Compound ID | JAhAMtLatei |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)16-24(29)27(18,5)23(20)12-14-26(21,22)4/h6,8,13,17,19-24,28-30H,7,9-12,14-16H2,1-5H3/b13-6-/t17-,19-,20+,21-,22+,23+,24+,26-,27+/m1/s1 |
| InChIKey | CPJRPQNIXXYQQU-BXTLLYPYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5T033iFQEmP |
|---|---|
| Name | Cholesta-5,23-diene-1,3,25-triol, (1.alpha.,3.beta.,23Z)- |
| CAS Registry Number | 80164-15-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)16-24(29)27(18,5)23(20)12-14-26(21,22)4/h6,8,13,17,19-24,28-30H,7,9-12,14-16H2,1-5H3/b13-6-/t17-,19-,20+,21-,22+,23+,24+,26-,27+/m1/s1 |
| InChIKey | CPJRPQNIXXYQQU-BXTLLYPYSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OC(\C=C/C[C@]([C@]1(CC[C@]2([C@@]3(CC=C4[C@]([C@](C[C@@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(C)[H])(C)C |
| SPLASH | splash10-0a5i-3982000000-390df4cc518fc17b3135 |
| Source of Spectrum | H-65-1517-0 |
| Synonyms | (1alpha,3beta,23Z)-cholesta-5,23-diene-1,3,25-triol (23Z)-5,23-cholestadien-1.alpha.,3.beta.,25-triol (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol (1S,3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-6-methyl-6-oxidanyl-hept-4-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol |
| Wiley ID | 1376610 |