| SpectraBase Compound ID | Jh1dxvkTZGc |
|---|---|
| InChI | InChI=1S/C34H46O19S/c1-12-10-47-33(8-17(12)49-29(43)14-3-5-15(36)6-4-14)32(44)34(45)20(37)7-16-19(11-54(46)27(16)28(34)53-33)51-31-26(24(41)21(38)13(2)48-31)52-30-25(42)23(40)22(39)18(9-35)50-30/h3-6,12-13,16-28,30-31,35-42,45H,7-11H2,1-2H3/t12-,13+,16-,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28-,30-,31-,33+,34-,54?/m1/s1 |
| InChIKey | WUZPPQVIOBHGNW-UKBVBJKLSA-N |
| Mol Weight | 790.8 g/mol |
| Molecular Formula | C34H46O19S |
| Exact Mass | 790.2354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jdqp4WZcXdy |
|---|---|
| Name | EPIBREYNIN_E;BETA-SULFOXIDEBREYNOGENIN_3-O-BETA-GLUCOPYRANOSYL-(1->2)-BETA-QUINOVOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O19S |
| InChI | InChI=1S/C34H46O19S/c1-12-10-47-33(8-17(12)49-29(43)14-3-5-15(36)6-4-14)32(44)34(45)20(37)7-16-19(11-54(46)27(16)28(34)53-33)51-31-26(24(41)21(38)13(2)48-31)52-30-25(42)23(40)22(39)18(9-35)50-30/h3-6,12-13,16-28,30-31,35-42,45H,7-11H2,1-2H3/t12-,13+,16-,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28-,30-,31-,33+,34-,54?/m1/s1 |
| InChIKey | WUZPPQVIOBHGNW-UKBVBJKLSA-N |
| Literature Reference Author | D.MENG,W.CHEN,W.ZHAO |
| Literature Reference Citation | J.NAT.PROD.,70,824(2007) |
| Literature Reference DOI | 10.1021/np0606300 |
| Molecular Weight | 790.788 g/mol |
| Sample ID | 30304 |
| Solvent | CD3OD |