| SpectraBase Compound ID | 4rMXNBjymKQ |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-15(22-11-12-25(2,3)31-22)17-8-9-18-16-6-7-20-23(29)24(30)21(28)14-27(20,5)19(16)10-13-26(17,18)4/h6,15,17-24,28-30H,7-14H2,1-5H3/t15-,17+,18-,19-,20-,21-,22+,23+,24-,26+,27+/m0/s1 |
| InChIKey | BUVHRWDQSRIJGY-XNZCEKOMSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9mADK8C1pXh |
|---|---|
| Name | 22(R),25-Epoxycholest-7-ene-2.beta,3.beta.,4.beta.-triol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-15(22-11-12-25(2,3)31-22)17-8-9-18-16-6-7-20-23(29)24(30)21(28)14-27(20,5)19(16)10-13-26(17,18)4/h6,15,17-24,28-30H,7-14H2,1-5H3/t15-,17+,18-,19-,20-,21-,22+,23+,24-,26+,27+/m0/s1 |
| InChIKey | BUVHRWDQSRIJGY-XNZCEKOMSA-N |
| Molecular Weight | 432.645 g/mol |
| SMILES | O[C@]1([C@]([C@](C[C@]2([C@]1(CC=C1[C@@]2(CC[C@@]2([C@](CC[C@@]12[H])([C@@]([C@@]1(OC(C)(C)CC1)[H])(C)[H])[H])C)[H])[H])C)(O)[H])(O)[H])[H] |
| SPLASH | splash10-001j-9500100000-fc36c90966a61261255b |
| Source of Spectrum | G4-63-641-9 |
| Synonyms | (2beta,3beta,4beta,5alpha,20S)-20-[(2R)-5,5-dimethyltetrahydro-2-furanyl]pregn-7-ene-2,3,4-triol (2S,3S,4R,5R,9R,10R,13R,14R,17R)-17-[(1S)-1-[(2R)-5,5-dimethyl-2-oxolanyl]ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,4-triol (2S,3S,4R,5R,9R,10R,13R,14R,17R)-17-[(1S)-1-[(2R)-5,5-dimethyloxolan-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,4-triol |
| Wiley ID | 1608384 |