| SpectraBase Compound ID | 7Pp0hbktdPB |
|---|---|
| InChI | InChI=1S/C21H35N3O3/c1-19-8-6-15(25)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)27)12-23-24-18(22)26/h12-17,25,27H,3-11H2,1-2H3,(H3,22,24,26)/b23-12+/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1 |
| InChIKey | BSFYWJWWFDTBKS-HSYQFJABSA-N |
| Mol Weight | 377.5 g/mol |
| Molecular Formula | C21H35N3O3 |
| Exact Mass | 377.267842 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KlN9ncBj4V |
|---|---|
| Name | (E)-17.beta.-(Semicarbazonomethyl)-5.beta.-androstane-3.beta.,14.beta.-diol |
| Alternate Name(s) | (3beta,5beta,14beta,17beta)-3,14-dihydroxyandrostane-17-carbaldehyde semicarbazone [(E)-[(3S,5R,8R,9S,10S,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]methylideneamino]urea 1-[(E)-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]methylideneamino]urea |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H35N3O3 |
| InChI | InChI=1S/C21H35N3O3/c1-19-8-6-15(25)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)27)12-23-24-18(22)26/h12-17,25,27H,3-11H2,1-2H3,(H3,22,24,26)/b23-12+/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1 |
| InChIKey | BSFYWJWWFDTBKS-HSYQFJABSA-N |
| Molecular Weight | 377.529 g/mol |
| SMILES | N(\N=C\[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@]4(CC[C@]3([C@]2(CC1)O)[H])[H])(O)[H])C)[H])C)[H])C(=O)N |
| SPLASH | splash10-006x-9551000000-de6ffd4476446965fd13 |
| Source of Spectrum | E1-39-3391-2 |
| Wiley ID | 1598912 |