| SpectraBase Spectrum ID |
3pobvAGrvfA |
| Name |
p-Benzoyl-o-((17.beta.-acetylandrosta-3,5-dien-3-yl)ethynyl)phenol |
| Alternate Name(s) |
{4-hydroxy-3-[(20-oxopregna-3,5-dien-3-yl)ethynyl]phenyl}(phenyl)methanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H38O3 |
| InChI |
InChI=1S/C36H38O3/c1-23(37)30-14-15-31-29-13-12-28-21-24(17-19-35(28,2)32(29)18-20-36(30,31)3)9-10-26-22-27(11-16-33(26)38)34(39)25-7-5-4-6-8-25/h4-8,11-12,16,21-22,29-32,38H,13-15,17-20H2,1-3H3/t29?,30-,31?,32?,35+,36-/m1/s1 |
| InChIKey |
MVAOYGUYJQQRMV-DFBACRKASA-N |
| Molecular Weight |
518.697 g/mol |
| SMILES |
Oc1c(C#CC=2CC[C@@]3(C4CC[C@]5(C(C4CC=C3C2)CC[C@@]5(C(=O)C)[H])C)C)cc(C(=O)c2ccccc2)cc1 |
| SPLASH |
splash10-0a4i-0900020000-349bc010b596d7310d5d |
| Source of Spectrum |
J-61-9286-9 |
| Wiley ID |
1401800 |
