| SpectraBase Spectrum ID |
IlxP7UqUGUl |
| Name |
7.ALPHA.-METHYL-ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE(3-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.188194694 u |
| Formula |
C21H26O3 |
| InChI |
InChI=1S/C21H26O3/c1-12-10-14-11-15(24-13(2)22)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)23/h4-5,11-12,17-18,20H,6-10H2,1-3H3/t12-,17-,18+,20-,21+/m1/s1 |
| InChIKey |
FRHUCMWUOPTVRN-REMQMKFTSA-N |
| Molecular Weight |
326.436 g/mol |
| Nominal Mass |
326 u |
| Number of Peaks |
33 |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3([C@@](Cc2c1)(C)[H])[H])[H])=O)C)[H])OC(C)=O |
| SPLASH |
splash10-001i-0490000000-622d2d200bc5ec6f1e42 |
| Source File Reference |
LMCM-78071-334L |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
7-METHYL-17-OXOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(7R,8R,9S,13S,14S)-7,13-dimethyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
4_1449 |
