| SpectraBase Compound ID | I2c2UwUtQO3 |
|---|---|
| InChI | InChI=1S/C35H42O17/c1-17-29-24(14-28(42-6)46-17)25(33(41)43-7)15-45-34(29)52-35-32(50-21(5)39)31(49-20(4)38)30(48-19(3)37)26(51-35)16-44-27(40)13-10-22-8-11-23(12-9-22)47-18(2)36/h8-13,15,17,24,26,28-32,34-35H,14,16H2,1-7H3/b13-10+/t17-,24?,26-,28+,29?,30-,31+,32-,34-,35+/m0/s1 |
| InChIKey | QTNNHBQYDNKZIP-VVZBEDTLSA-N |
| Mol Weight | 734.7 g/mol |
| Molecular Formula | C35H42O17 |
| Exact Mass | 734.2422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXv5RDDjn4Z |
|---|---|
| Name | (7S)-O-METHYL-ISOHAENKEANOSIDE-TETRAACETATE |
| Compound Number | 179 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H42O17 |
| InChI | InChI=1S/C35H42O17/c1-17-29-24(14-28(42-6)46-17)25(33(41)43-7)15-45-34(29)52-35-32(50-21(5)39)31(49-20(4)38)30(48-19(3)37)26(51-35)16-44-27(40)13-10-22-8-11-23(12-9-22)47-18(2)36/h8-13,15,17,24,26,28-32,34-35H,14,16H2,1-7H3/b13-10+/t17-,24?,26-,28+,29?,30-,31+,32-,34-,35+/m0/s1 |
| InChIKey | QTNNHBQYDNKZIP-VVZBEDTLSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 734.708 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4550 |