| SpectraBase Spectrum ID |
IygogfbvKsg |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL(3,17.BETA.-DI-ACETATE) |
| CAS Registry Number |
3434-88-6 |
| 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-AANPDWTMSA-N |
| Molecular Weight |
356.462 g/mol |
| Nominal Mass |
356 u |
| Number of Peaks |
86 |
| 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-1739000000-bc955f770b989353e3c7 |
| Source File Reference |
LMCM-96058-804S |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-(ACETYLOXY)ESTRA-1,3,5(10)-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate |
| Wiley ID |
4_2078 |
