| SpectraBase Compound ID | IsrfBujEyNT |
|---|---|
| InChI | InChI=1S/C39H54O23S/c1-14-10-55-38(8-19(14)57-32(49)16-3-5-17(42)6-4-16)36(50)39(52)22(43)7-18-21(11-63(53)29(18)31(39)62-38)59-34-28(25(46)23(44)15(2)56-34)61-33-26(47)27(24(45)20(9-40)58-33)60-35-30(48)37(51,12-41)13-54-35/h3-6,14-15,18-31,33-35,40-48,51-52H,7-13H2,1-2H3/t14-,15+,18-,19+,20+,21+,22+,23+,24+,25-,26+,27-,28+,29+,30-,31-,33-,34-,35-,37+,38+,39-,63?/m1/s1 |
| InChIKey | XBNSOYXGOATVNN-JOKWTFPXSA-N |
| Mol Weight | 922.9 g/mol |
| Molecular Formula | C39H54O23S |
| Exact Mass | 922.277659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRJHSUuqPth |
|---|---|
| Name | EPIBREYNIN_F;BETA-SULFOXIDEBREYNOGENIN_3-O-BETA-APIOFURANOSYL-(1->3)-BETA-GLUCOPYRANOSYL-(1->2)-BETA-QUINOVOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O23S |
| InChI | InChI=1S/C39H54O23S/c1-14-10-55-38(8-19(14)57-32(49)16-3-5-17(42)6-4-16)36(50)39(52)22(43)7-18-21(11-63(53)29(18)31(39)62-38)59-34-28(25(46)23(44)15(2)56-34)61-33-26(47)27(24(45)20(9-40)58-33)60-35-30(48)37(51,12-41)13-54-35/h3-6,14-15,18-31,33-35,40-48,51-52H,7-13H2,1-2H3/t14-,15+,18-,19+,20+,21+,22+,23+,24+,25-,26+,27-,28+,29+,30-,31-,33-,34-,35-,37+,38+,39-,63?/m1/s1 |
| InChIKey | XBNSOYXGOATVNN-JOKWTFPXSA-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 | 922.904 g/mol |
| Sample ID | 30305 |
| Solvent | CD3OD |