| SpectraBase Spectrum ID |
IkFyqYRwhb7 |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,11.BETA.-17.BETA.-TRIOL(3,11.BETA.,17.BETA.-TRI-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
414.204238680 u |
| Formula |
C24H30O6 |
| InChI |
InChI=1S/C24H30O6/c1-13(25)28-17-6-8-18-16(11-17)5-7-19-20-9-10-22(30-15(3)27)24(20,4)12-21(23(18)19)29-14(2)26/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3/t19-,20-,21-,22-,23+,24-/m0/s1 |
| InChIKey |
GEFHORFJVMAZBQ-OVUYMFTPSA-N |
| Molecular Weight |
414.498 g/mol |
| Nominal Mass |
414 u |
| Number of Peaks |
107 |
| SMILES |
c1(ccc2[C@]3([C@](C[C@@]4([C@](CC[C@]4([C@@]3(CCc2c1)[H])[H])(OC(C)=O)[H])C)(OC(C)=O)[H])[H])OC(C)=O |
| SPLASH |
splash10-00di-1879000000-d336ed61fb936148d3d4 |
| Source File Reference |
LMCM-13607-395M |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
11,17-BIS(ACETYLOXY)ESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8S,9S,11S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,11,17-triyl triacetate |
| Wiley ID |
4_1429 |
