| SpectraBase Compound ID | 6ZjlwqW4UHy |
|---|---|
| InChI | InChI=1S/C31H40O15/c1-15(2)42-29-26(37)28(25(36)20(13-32)44-29)46-24(35)12-31(5,39)11-23(34)45-21(30(3,4)38)14-41-27-16-6-7-22(33)43-19(16)10-18-17(27)8-9-40-18/h6-10,15,20-21,25-26,28-29,32,36-39H,11-14H2,1-5H3/t20-,21-,25-,26-,28+,29-,31?/m1/s1 |
| InChIKey | OQCKBNSJKRJRSM-PCWNKMJXSA-N |
| Mol Weight | 652.6 g/mol |
| Molecular Formula | C31H40O15 |
| Exact Mass | 652.236721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XsKn0uIGPq |
|---|---|
| Name | CITRUSIDE_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O15 |
| InChI | InChI=1S/C31H40O15/c1-15(2)42-29-26(37)28(25(36)20(13-32)44-29)46-24(35)12-31(5,39)11-23(34)45-21(30(3,4)38)14-41-27-16-6-7-22(33)43-19(16)10-18-17(27)8-9-40-18/h6-10,15,20-21,25-26,28-29,32,36-39H,11-14H2,1-5H3/t20-,21-,25-,26-,28+,29-,31?/m1/s1 |
| InChIKey | OQCKBNSJKRJRSM-PCWNKMJXSA-N |
| Literature Reference Author | J.YOUKWAN,S.SUTTHIVAIYAKIT,P.SUTTHIVAIYAKIT |
| Literature Reference Citation | J.NAT.PROD.,73,1879(2010) |
| Literature Reference DOI | 10.1021/np100531x |
| Molecular Weight | 652.650 g/mol |
| Sample ID | 37044 |
| Solvent | CDCl3 |