| SpectraBase Compound ID | EVnRDrvne01 |
|---|---|
| InChI | InChI=1S/C47H78O18/c1-21(48)37-39(52)43(53)47(55)45(37,7)14-12-32-44(6)13-11-27(16-26(44)10-15-46(32,47)54)62-35-20-31(57-9)42(25(5)61-35)65-34-18-29(50)40(23(3)60-34)63-33-17-28(49)41(24(4)59-33)64-36-19-30(56-8)38(51)22(2)58-36/h22-43,49-55H,10-20H2,1-9H3/t22-,23-,24-,25+,26-,27-,28-,29-,30+,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+/m0/s1 |
| InChIKey | XUDWCWAZBHWJIA-VGRFKWKJSA-N |
| Mol Weight | 931.1 g/mol |
| Molecular Formula | C47H78O18 |
| Exact Mass | 930.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwwAVeOSbNi |
|---|---|
| Name | PLEUROGENIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CANAROPYRANOSYL-(1->4)-BETA-D-CANAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H78O18 |
| InChI | InChI=1S/C47H78O18/c1-21(48)37-39(52)43(53)47(55)45(37,7)14-12-32-44(6)13-11-27(16-26(44)10-15-46(32,47)54)62-35-20-31(57-9)42(25(5)61-35)65-34-18-29(50)40(23(3)60-34)63-33-17-28(49)41(24(4)59-33)64-36-19-30(56-8)38(51)22(2)58-36/h22-43,49-55H,10-20H2,1-9H3/t22-,23-,24-,25+,26-,27-,28-,29-,30+,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+/m0/s1 |
| InChIKey | XUDWCWAZBHWJIA-VGRFKWKJSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1017(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1017 |
| Molecular Weight | 931.126 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4364 |