SpectraBase Spectrum ID |
8jpO6aC7OVM |
Name |
ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL-6-ONE(3,17.BETA.-DI-ACETATE) |
CAS Registry Number |
3434-45-5 |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
370.178023932 u |
Formula |
C22H26O5 |
InChI |
InChI=1S/C22H26O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)27-13(2)24)17(16)11-20(25)18(15)10-14/h4-5,10,16-17,19,21H,6-9,11H2,1-3H3/t16-,17-,19+,21+,22+/m1/s1 |
InChIKey |
REXFWMANWYNMPV-AJYQEWAOSA-N |
Molecular Weight |
370.445 g/mol |
Nominal Mass |
370 u |
Number of Peaks |
41 |
SMILES |
c1(ccc2[C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC(c2c1)=O)[H])[H])(OC(C)=O)[H])C)[H])OC(C)=O |
SPLASH |
splash10-004i-1569000000-3371b688c8045b256fcd |
Source File Reference |
LMCM-42135-998C |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
17-(ACETYLOXY)-6-OXOESTRA-1,3,5(10)-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,17S)-13-methyl-6-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate |
Wiley ID |
4_1463 |