| SpectraBase Compound ID | 9QBsARKQ4MV |
|---|---|
| InChI | InChI=1S/C42H68O16/c1-18-26(48)28(50)30(52)34(55-18)58-36(54)42-11-10-37(2,3)12-20(42)19-8-9-24-38(4)13-22(46)33(57-35-31(53)29(51)27(49)23(16-43)56-35)39(5,17-44)32(38)21(45)14-41(24,7)40(19,6)15-25(42)47/h8,18,20-35,43-53H,9-17H2,1-7H3/t18-,20?,21+,22-,23+,24?,25+,26-,27+,28+,29-,30+,31+,32?,33-,34+,35-,38+,39-,40+,41+,42+/m0/s1 |
| InChIKey | URBHZZHGMZBBCQ-BPYSGROYSA-N |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C42H68O16 |
| Exact Mass | 828.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8d4Ept3YBg |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-28-O-ALPHA-L-RHAMNOPYRANOSYL-16-ALPHA-HYDROXY-PROTOBASSIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O16 |
| InChI | InChI=1S/C42H68O16/c1-18-26(48)28(50)30(52)34(55-18)58-36(54)42-11-10-37(2,3)12-20(42)19-8-9-24-38(4)13-22(46)33(57-35-31(53)29(51)27(49)23(16-43)56-35)39(5,17-44)32(38)21(45)14-41(24,7)40(19,6)15-25(42)47/h8,18,20-35,43-53H,9-17H2,1-7H3/t18-,20?,21+,22-,23+,24?,25+,26-,27+,28+,29-,30+,31+,32?,33-,34+,35-,38+,39-,40+,41+,42+/m0/s1 |
| InChIKey | URBHZZHGMZBBCQ-BPYSGROYSA-N |
| Literature Reference Author | N.C.KIM,A.E.DESJARDINS,C.D.WU,A.D.KINGHORN |
| Literature Reference Citation | J.NAT.PROD.,62,1379(1999) |
| Literature Reference DOI | 10.1021/np9901579 |
| Molecular Weight | 828.992 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS20818 |