![EPIBREYNIN_H;24-METHOXY-BETA-SULFOXIDEBREYNOGENIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->3)]-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL](/api/spectrum/3m0to0DM5Da/structure.png?h=300&w=458 "EPIBREYNIN_H;24-METHOXY-BETA-SULFOXIDEBREYNOGENIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->3)]-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL")
| SpectraBase Compound ID | 2eFLkLiJjVG |
|---|---|
| InChI | InChI=1S/C47H68O28S/c1-14-12-65-46(10-22(14)69-40(60)18-6-7-20(49)21(8-18)64-5)45(61)47(62)25(50)9-19-24(13-76(63)38(19)39(47)75-46)71-43-36(32(57)28(53)17(4)68-43)73-44-37(74-42-34(59)31(56)27(52)16(3)67-42)35(29(54)23(11-48)70-44)72-41-33(58)30(55)26(51)15(2)66-41/h6-8,14-17,19,22-39,41-44,48-59,62H,9-13H2,1-5H3/t14-,15-,16-,17+,19-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36+,37+,38+,39-,41-,42-,43-,44-,46+,47-,76?/m1/s1 |
| InChIKey | UIPAARDLEGMHCG-YFJYNAFVSA-N |
| Mol Weight | 1113.1 g/mol |
| Molecular Formula | C47H68O28S |
| Exact Mass | 1112.361783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3m0to0DM5Da |
|---|---|
| Name | EPIBREYNIN_H;24-METHOXY-BETA-SULFOXIDEBREYNOGENIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->3)]-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H68O28S |
| InChI | InChI=1S/C47H68O28S/c1-14-12-65-46(10-22(14)69-40(60)18-6-7-20(49)21(8-18)64-5)45(61)47(62)25(50)9-19-24(13-76(63)38(19)39(47)75-46)71-43-36(32(57)28(53)17(4)68-43)73-44-37(74-42-34(59)31(56)27(52)16(3)67-42)35(29(54)23(11-48)70-44)72-41-33(58)30(55)26(51)15(2)66-41/h6-8,14-17,19,22-39,41-44,48-59,62H,9-13H2,1-5H3/t14-,15-,16-,17+,19-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36+,37+,38+,39-,41-,42-,43-,44-,46+,47-,76?/m1/s1 |
| InChIKey | UIPAARDLEGMHCG-YFJYNAFVSA-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 | 1113.100 g/mol |
| Sample ID | 30307 |
| Solvent | CD3OD |