| SpectraBase Spectrum ID |
D5PDpB74Ejw |
| Name |
16.BETA.,17.BETA.-BIS(ACETYLOXY)ESTRA-1(10),2,4-TRIEN-3-YL 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)5-7-20-19(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-/m0/s1 |
| InChIKey |
DKZPDNPWKHTWCC-LKDGEGJSSA-N |
| Molecular Weight |
414.498 g/mol |
| Nominal Mass |
414 u |
| Number of Peaks |
40 |
| SMILES |
C(C)(=O)Oc1ccc2C3CC[C@@]4([C@]([C@](CC4C3CCc2c1)(OC(=O)C)[H])(OC(=O)C)[H])C |
| SPLASH |
splash10-00di-0239000000-b15b92cae9ad18cab8c9 |
| Source File Reference |
LMCM-57142-349N |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
ESTRA-1,3,5(10)-TRIENE-3,16.BETA.,17.BETA.-TRIOL(3,16.BETA.,17.BETA.-TRI-ACETATE)
(13S,16S,17R)-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_1580 |
