SpectraBase Compound ID | BtRMl3bHIZz |
---|---|
InChI | InChI=1S/C21H32O4/c1-13(22)21(25-24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 |
InChIKey | QORSAKNHFYZSLZ-TVWVXWENSA-N |
Mol Weight | 348.5 g/mol |
Molecular Formula | C21H32O4 |
Exact Mass | 348.23006 g/mol |
SpectraBase Spectrum ID | EXpB94Ewu5t |
---|---|
Name | (3beta)-17-hydroperoxy-3-hydroxypregn-5-en-20-one |
CAS Registry Number | 34069-59-5 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H32O4 |
InChI | InChI=1S/C21H32O4/c1-13(22)21(25-24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 |
InChIKey | QORSAKNHFYZSLZ-TVWVXWENSA-N |
Molecular Weight | 348.483 g/mol |
SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@](OO)(CC4)C(=O)C)(CC[C@]23[H])C)[H])[H])C1)C)[H] |
SPLASH | splash10-0c13-4593000000-242a35c45ca955f88542 |
Source of Spectrum | KN-50-708-3 |
Synonyms | 1-[(3S,8R,9S,10R,13S,14S,17R)-17-(dioxidanyl)-10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone 1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
Wiley ID | 1340826 |