| SpectraBase Compound ID | LwBhlpirPZS |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-18-26(47)28(49)30(51)34(54-18)57-36(53)42-12-11-37(2,3)13-20(42)19-9-10-24-39(6)14-22(45)33(56-35-31(52)29(50)27(48)23(17-43)55-35)38(4,5)32(39)21(44)15-41(24,8)40(19,7)16-25(42)46/h9,18,20-35,43-52H,10-17H2,1-8H3/t18-,20?,21+,22-,23+,24?,25+,26-,27+,28+,29-,30+,31+,32?,33-,34+,35-,39+,40+,41+,42+/m0/s1 |
| InChIKey | LZIMOIPXNDCZGQ-GKEJKWIWSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8l54PMSi19x |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-28-O-ALPHA-L-RHAMNOPYRANOSYL-16-ALPHA-HYDROXY-23-DEOXYPROTOBASSIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-18-26(47)28(49)30(51)34(54-18)57-36(53)42-12-11-37(2,3)13-20(42)19-9-10-24-39(6)14-22(45)33(56-35-31(52)29(50)27(48)23(17-43)55-35)38(4,5)32(39)21(44)15-41(24,8)40(19,7)16-25(42)46/h9,18,20-35,43-52H,10-17H2,1-8H3/t18-,20?,21+,22-,23+,24?,25+,26-,27+,28+,29-,30+,31+,32?,33-,34+,35-,39+,40+,41+,42+/m0/s1 |
| InChIKey | LZIMOIPXNDCZGQ-GKEJKWIWSA-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 | 812.993 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS20816 |