| SpectraBase Compound ID | 2kVJk6yikRt |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-17(6-11-24(29)25(2,3)30)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7-8,17,19,21-24,28-30H,6,9-16H2,1-5H3/t17-,19+,21-,22+,23+,24+,26+,27-/m1/s1 |
| InChIKey | JTJWFLUAWMFCRO-OLPDBPAWSA-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 | G24kYq3C4EA |
|---|---|
| Name | Cholesta-5,7-diene-3,24,25-triol, (3.beta.,24S)- |
| CAS Registry Number | 55700-57-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-17(6-11-24(29)25(2,3)30)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7-8,17,19,21-24,28-30H,6,9-16H2,1-5H3/t17-,19+,21-,22+,23+,24+,26+,27-/m1/s1 |
| InChIKey | JTJWFLUAWMFCRO-OLPDBPAWSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OC([C@](CC[C@]([C@@]1([C@@]2([C@](C=3[C@@]([C@]4(CC[C@@](CC4=CC3)(O)[H])C)(CC2)[H])(CC1)[H])C)[H])(C)[H])(O)[H])(C)C |
| SPLASH | splash10-0159-0018900000-5c8f16a3ca6b09eb7dc8 |
| Source of Spectrum | KC-1976-731-0 |
| Synonyms | (3beta,24S)-cholesta-5,7-diene-3,24,25-triol Cholesta-5,7-diene-3.beta.,24.epsilon.,25-triol (3S,6R)-6-[(3S,9S,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol (3S,6R)-6-[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptane-2,3-diol |
| Wiley ID | 1376608 |