| SpectraBase Compound ID | CUPNSGzzGiR |
|---|---|
| InChI | InChI=1S/C22H28O6/c1-12(23)27-15-5-7-16-14(10-15)4-6-18-17(16)8-9-21(3)19(18)11-20(25)22(21,26)28-13(2)24/h5,7,10,17-20,25-26H,4,6,8-9,11H2,1-3H3 |
| InChIKey | XVGJAEHFDUPOSM-UHFFFAOYSA-N |
| Mol Weight | 388.46 g/mol |
| Molecular Formula | C22H28O6 |
| Exact Mass | 388.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 15q4KFSco6U |
|---|---|
| Name | Estra-1,3,5(10)-triene-3,16,17,17-tetrol, 3,17-diacetate, (16.alpha.,17.beta.)- |
| CAS Registry Number | 69833-77-8 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O6 |
| InChI | InChI=1S/C22H28O6/c1-12(23)27-15-5-7-16-14(10-15)4-6-18-17(16)8-9-21(3)19(18)11-20(25)22(21,26)28-13(2)24/h5,7,10,17-20,25-26H,4,6,8-9,11H2,1-3H3 |
| InChIKey | XVGJAEHFDUPOSM-UHFFFAOYSA-N |
| Molecular Weight | 388.460 g/mol |
| SMILES | OC1(C2(CCC3c4ccc(cc4CCC3C2CC1O)OC(C)=O)C)OC(C)=O |
| SPLASH | splash10-03dr-1590000000-9ab2015e692b1b2deca3 |
| Source of Spectrum | W5-33007-32529-32529 |
| Synonyms | 17-(Acetyloxy)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl acetate (17-acetoxy-16,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate (17-acetyloxy-16,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate Acetic acid (17-acetoxy-16,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester Acetic acid (17-acetyloxy-16,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester |
| Wiley ID | 1363841 |