| SpectraBase Spectrum ID |
FfLE3IjbYYr |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.,17.ALPHA.-TRIOL(3,16.ALPHA.,17.ALPHA.-TRI-ACETATE) |
| CAS Registry Number |
2236-33-1 |
| 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)5-7-20-19(18)9-10-24(4)21(20)12-22(29-14(2)26)23(24)30-15(3)27/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3/t19-,20-,21+,22-,23-,24+/m1/s1 |
| InChIKey |
DKZPDNPWKHTWCC-XOJBGPSCSA-N |
| Molecular Weight |
414.498 g/mol |
| Nominal Mass |
414 u |
| Number of Peaks |
75 |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4([C@@]([C@@](C[C@]4([C@@]3(CCc2c1)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H])C)[H])OC(C)=O |
| SPLASH |
splash10-00di-1649000000-0251c5dd0e88231bd7b2 |
| Source File Reference |
LMCM-49976-221P |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
16,17-BIS(ACETYLOXY)ESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,16R,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triyl triacetate |
| Wiley ID |
4_1584 |
