| SpectraBase Spectrum ID |
Gw3HaMVfahc |
| Name |
17-.beta.-Hydroxy-4,5-secoandrost-3-yn-5-one Benzoate |
| Alternate Name(s) |
(3S,3aS,5aS,6R,9aS,9bS)-6-(3-butynyl)-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-3-yl benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H32O3 |
| InChI |
InChI=1S/C26H32O3/c1-4-5-16-25(2)21-15-17-26(3)20(19(21)11-13-22(25)27)12-14-23(26)29-24(28)18-9-7-6-8-10-18/h1,6-10,19-21,23H,5,11-17H2,2-3H3/t19-,20-,21-,23-,25+,26-/m0/s1 |
| InChIKey |
UPVGLFUHNVHUAA-JYAKILMVSA-N |
| Molecular Weight |
392.539 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC([C@@]([C@]3(CC2)[H])(CCC#C)C)=O)[H])(CC[C@@]1(OC(=O)c1ccccc1)[H])[H])C |
| SPLASH |
splash10-052f-0509000000-ce4e045d6fa1396f4771 |
| Source of Spectrum |
J-57-4118-8 |
| Wiley ID |
1366055 |
