| SpectraBase Compound ID | 9Xfp1XDuKbi |
|---|---|
| InChI | InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25-,26-,27-,29-,31+,32-,33+,34+/m1/s1 |
| InChIKey | GVKXFVCXBFGBCD-GTDORJALSA-N |
| Mol Weight | 654.7 g/mol |
| Molecular Formula | C34H38O13 |
| Exact Mass | 654.231241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1qbNkRzcgC |
|---|---|
| Name | 2'''-EPISILVESTROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H38O13 |
| InChI | InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25-,26-,27-,29-,31+,32-,33+,34+/m1/s1 |
| InChIKey | GVKXFVCXBFGBCD-GTDORJALSA-N |
| Literature Reference Author | L.PAN,L.B.S.KARDONO,S.RISWAN,H.CHAI,E.J.C.DEBLANCO,C.M.PANNE LL,D.D.SOEJARTO,T.G. |
| Literature Reference Citation | J.NAT.PROD.,73,1873(2010) |
| Literature Reference DOI | 10.1021/np100503q |
| Molecular Weight | 654.668 g/mol |
| Sample ID | 37035 |
| Solvent | CDCl3 |