| SpectraBase Compound ID | w2aGL34pIX |
|---|---|
| InChI | InChI=1S/C31H46O13/c1-31-8-7-14-15(17(31)5-6-22(31)34)4-3-13-9-19(18(40-2)10-16(13)14)41-30-28(26(38)24(36)21(12-33)43-30)44-29-27(39)25(37)23(35)20(11-32)42-29/h9-10,14-15,17,20-30,32-39H,3-8,11-12H2,1-2H3/t14-,15+,17-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,31?/m0/s1 |
| InChIKey | QMJMJIJRCRMYCD-VAOOKHHGSA-N |
| Mol Weight | 626.7 g/mol |
| Molecular Formula | C31H46O13 |
| Exact Mass | 626.293842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DpkjZFzM9DA |
|---|---|
| Name | 2-METHOXYESTRADIOL_3-(O-BETA-D-GLUCOPYRANOSYL)-(1''->2'')-(O-BETA-GLUCOSIDE) |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O13 |
| InChI | InChI=1S/C31H46O13/c1-31-8-7-14-15(17(31)5-6-22(31)34)4-3-13-9-19(18(40-2)10-16(13)14)41-30-28(26(38)24(36)21(12-33)43-30)44-29-27(39)25(37)23(35)20(11-32)42-29/h9-10,14-15,17,20-30,32-39H,3-8,11-12H2,1-2H3/t14-,15+,17-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,31?/m0/s1 |
| InChIKey | QMJMJIJRCRMYCD-VAOOKHHGSA-N |
| Literature Reference Author | M.ZHOU,A.HAMZA,C.G.ZHAN,J.S.THORSON |
| Literature Reference Citation | J.NAT.PROD.,76,279(2013) |
| Literature Reference DOI | 10.1021/np300890h |
| Molecular Weight | 626.698 g/mol |
| Sample ID | 42231 |
| Solvent | Unknown |