| SpectraBase Compound ID | 1lTKaZhLWEy |
|---|---|
| InChI | InChI=1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3 |
| InChIKey | LMXGPAGGDXVARU-UHFFFAOYSA-N |
| Mol Weight | 414.5 g/mol |
| Molecular Formula | C24H30O6 |
| Exact Mass | 414.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DyCrTlzsvwb |
|---|---|
| Name | Estra-1,3,5(10)-triene-3,6,17-triol, triacetate, (6.beta.,17.beta.)- |
| CAS Registry Number | 6626-42-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H30O6 |
| InChI | InChI=1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3 |
| InChIKey | LMXGPAGGDXVARU-UHFFFAOYSA-N |
| Molecular Weight | 414.498 g/mol |
| SMILES | CC12C(C3C(c4c(C(C3)OC(C)=O)cc(OC(C)=O)cc4)CC2)CCC1OC(C)=O |
| SPLASH | splash10-03di-1759000000-25667458e0614af73696 |
| Source of Spectrum | W5-34161-31375-31375 |
| Synonyms | Estra-1,3,5(10)-triene-3,6,7-triol, triacetate, (6.alpha.,17.beta.)- 3,17-Bis(acetyloxy)estra-1,3,5(10)-trien-6-yl acetate (3,6-diacetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (3,6-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (3,6-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate Acetic acid (3,6-diacetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester Acetic acid (3,6-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester |
| Wiley ID | 1375465 |