| SpectraBase Compound ID | IV65rGhbwom |
|---|---|
| InChI | InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)13-44-29(16)48-31-25(39)23(37)22(36)19(11-32)45-31)10-21(35)47-27-20(12-33)46-30(26(40)24(27)38)43-9-8-14-4-6-15(34)7-5-14/h3-7,13,17,19-20,22-27,29-34,36-40H,8-12H2,1-2H3/b16-3-/t17?,19-,20+,22-,23+,24+,25-,26+,27+,29-,30+,31+/m0/s1 |
| InChIKey | BXFDSXRULGPMLO-UMINVZSDSA-N |
| Mol Weight | 686.7 g/mol |
| Molecular Formula | C31H42O17 |
| Exact Mass | 686.2422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lj96zEAEGrX |
|---|---|
| Name | ISONUEZHENIDE |
| Compound Number | 163 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O17 |
| InChI | InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)13-44-29(16)48-31-25(39)23(37)22(36)19(11-32)45-31)10-21(35)47-27-20(12-33)46-30(26(40)24(27)38)43-9-8-14-4-6-15(34)7-5-14/h3-7,13,17,19-20,22-27,29-34,36-40H,8-12H2,1-2H3/b16-3-/t17?,19-,20+,22-,23+,24+,25-,26+,27+,29-,30+,31+/m0/s1 |
| InChIKey | BXFDSXRULGPMLO-UMINVZSDSA-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 | 686.664 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS4534 |