| SpectraBase Spectrum ID |
5rD5D8O2g49 |
| Name |
5-Alpha,delta-1-3-oxo-17-acetoxy-estrane |
| Alternate Name(s) |
5-Alpha-delta-1-3-oxo-17-acetoxy-estrane
(5S,8R,9S,10R,13S,14S)-13-methyl-3-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-17-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,13,15-19H,3,5,7-11H2,1-2H3/t13-,15-,16+,17+,18-,19?,20-/m0/s1 |
| InChIKey |
YKUCUACTZARKBX-OYKLNYQRSA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(C=CC(C4)=O)[H])[H])[H])(CCC1OC(=O)C)[H])C |
| SPLASH |
splash10-0aos-6947000000-caae9b3394bd8b905aca |
| Source of Spectrum |
JX-2015-6-12918 |
| Wiley ID |
1731366 |
