| SpectraBase Spectrum ID |
DubbhzdpnIT |
| Name |
1-METHYL-ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE(3-ACETATE) |
| CAS Registry Number |
30903-07-2 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.188194694 u |
| Formula |
C21H26O3 |
| InChI |
InChI=1S/C21H26O3/c1-12-10-15(24-13(2)22)11-14-4-5-16-17(20(12)14)8-9-21(3)18(16)6-7-19(21)23/h10-11,16-18H,4-9H2,1-3H3/t16-,17+,18+,21+/m1/s1 |
| InChIKey |
DSYUIGGWBXWDGI-WKRCXCSHSA-N |
| Molecular Weight |
326.436 g/mol |
| Nominal Mass |
326 u |
| Number of Peaks |
64 |
| SMILES |
c1(cc(c2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCc2c1)[H])[H])=O)C)[H])C)OC(C)=O |
| SPLASH |
splash10-001i-1791000000-50b041f94e9767ce9486 |
| Source File Reference |
LMCM-56931-748K |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
1-METHYL-17-OXOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S)-1,13-dimethyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
4_1457 |
