| SpectraBase Compound ID | GTJwEWxFjwh |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-18(7-6-14-25(2,3)30-29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h6,8,14,18,20-24,28-29H,7,9-13,15-17H2,1-5H3/b14-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SISZKTSVHKUZKL-HUYSPLOCSA-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 | 8jS78ax9qe1 |
|---|---|
| Name | 25-Hydroperoxycholesta-5,23(E)-dien-3.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-18(7-6-14-25(2,3)30-29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h6,8,14,18,20-24,28-29H,7,9-13,15-17H2,1-5H3/b14-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SISZKTSVHKUZKL-HUYSPLOCSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](C\C=C\C(OO)(C)C)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-00dk-0491000000-5291bbf86f2ceef97aa1 |
| Source of Spectrum | X3-59-25-4 |
| Synonyms | (3beta,23E)-25-hydroperoxycholesta-5,23-dien-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-6-hydroperoxy-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]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-6-(dioxidanyl)-6-methyl-hept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1606155 |