| SpectraBase Spectrum ID |
B3ls9nr9Bi4 |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,17.ALPHA.-DIOL(3,17.ALPHA.-DI-ACETATE) |
| CAS Registry Number |
1474-52-8 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
356.198759378 u |
| Formula |
C22H28O4 |
| InChI |
InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1 |
| InChIKey |
VQHQLBARMFAKSV-BDHVOXNPSA-N |
| Molecular Weight |
356.462 g/mol |
| Nominal Mass |
356 u |
| Number of Peaks |
85 |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4([C@@](CC[C@]4([C@@]3(CCc2c1)[H])[H])(OC(C)=O)[H])C)[H])OC(C)=O |
| SPLASH |
splash10-03di-1938000000-76f05eb808099d4cd0c7 |
| Source File Reference |
LMCM-27915-258H |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-(ACETYLOXY)ESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate |
| Wiley ID |
4_2080 |
