| SpectraBase Compound ID | LxCNrQvJRHQ |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-19-10-15-42(36(52)57-34-29(48)26(45)25(44)21(18-43)54-34)17-16-39(5)20(32(42)41(19,7)53)8-9-23-38(4)13-12-24(37(2,3)22(38)11-14-40(23,39)6)55-35-30(49)27(46)28(47)31(56-35)33(50)51/h8,19,21-32,34-35,43-49,53H,9-18H2,1-7H3,(H,50,51)/t19-,21-,22?,23?,24+,25-,26+,27+,28+,29-,30-,31+,32?,34+,35-,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | HCFFYRGPTPKLPK-UAOSOYIVSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vi1KFlLz9X |
|---|---|
| Name | ILEKUDINOSIDE-B;3-O-BETA-D-GLUCURONOPYRANOSYL-POLOMIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-19-10-15-42(36(52)57-34-29(48)26(45)25(44)21(18-43)54-34)17-16-39(5)20(32(42)41(19,7)53)8-9-23-38(4)13-12-24(37(2,3)22(38)11-14-40(23,39)6)55-35-30(49)27(46)28(47)31(56-35)33(50)51/h8,19,21-32,34-35,43-49,53H,9-18H2,1-7H3,(H,50,51)/t19-,21-,22?,23?,24+,25-,26+,27+,28+,29-,30-,31+,32?,34+,35-,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | HCFFYRGPTPKLPK-UAOSOYIVSA-N |
| Literature Reference Author | K.NISHIMURA,T.MIYASE,H.NOGUCHI |
| Literature Reference Citation | J.NAT.PROD.,62,1128(1999) |
| Literature Reference DOI | 10.1021/np990128y |
| Molecular Weight | 810.977 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP8732 |