SpectraBase Compound ID | HRra9KNucSN |
---|---|
InChI | InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h4-7,12,18-21H,8-11H2,1-3H3 |
InChIKey | VKGRYSOZQFGDCK-UHFFFAOYSA-N |
Mol Weight | 354.45 g/mol |
Molecular Formula | C22H26O4 |
Exact Mass | 354.183109 g/mol |
SpectraBase Spectrum ID | DQtABfCqH6V |
---|---|
Name | Estra-1,3,5(10),6-tetraene-3,17-diol, diacetate, (17.beta.)- |
CAS Registry Number | 1971-65-9 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H26O4 |
InChI | InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h4-7,12,18-21H,8-11H2,1-3H3 |
InChIKey | VKGRYSOZQFGDCK-UHFFFAOYSA-N |
Molecular Weight | 354.446 g/mol |
SMILES | CC(=O)Oc1ccc2c(c1)C=CC1C2CCC2(C)C1CCC2OC(C)=O |
SPLASH | splash10-03di-0759000000-852be30ae5196d3c74fd |
Source of Spectrum | W5-31179-0-0 |
Synonyms | 17-(Acetyloxy)estra-1,3,5(10),6-tetraen-3-yl acetate (3-acetoxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) ethanoate Acetic acid (3-acetoxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) ester 13-Methyl-9,11,12,13,14,15,16,17-octahydro-8H-cyclopenta[a]phenanthrene-3,17-diyl diacetate Acetic acid (3-acetyloxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) ester |
Wiley ID | 1344839 |