| SpectraBase Compound ID | FyeBJgtX40Z |
|---|---|
| InChI | InChI=1S/C36H48O15/c1-19(2)48-34-32(42)31(41)30(40)25(50-34)18-47-28(38)16-36(6,44)17-29(39)51-26(35(4,5)43)9-7-20(3)11-13-46-33-21-8-10-27(37)49-24(21)15-23-22(33)12-14-45-23/h8,10-12,14-15,19,25-26,30-32,34,40-44H,7,9,13,16-18H2,1-6H3/b20-11+/t25-,26+,30-,31+,32-,34-,36?/m0/s1 |
| InChIKey | UBQMQNATXUCNPX-YVCGMBSTSA-N |
| Mol Weight | 720.8 g/mol |
| Molecular Formula | C36H48O15 |
| Exact Mass | 720.299321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KY790aMcCOT |
|---|---|
| Name | CITRUSIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O15 |
| InChI | InChI=1S/C36H48O15/c1-19(2)48-34-32(42)31(41)30(40)25(50-34)18-47-28(38)16-36(6,44)17-29(39)51-26(35(4,5)43)9-7-20(3)11-13-46-33-21-8-10-27(37)49-24(21)15-23-22(33)12-14-45-23/h8,10-12,14-15,19,25-26,30-32,34,40-44H,7,9,13,16-18H2,1-6H3/b20-11+/t25-,26+,30-,31+,32-,34-,36?/m0/s1 |
| InChIKey | UBQMQNATXUCNPX-YVCGMBSTSA-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 | 720.768 g/mol |
| Sample ID | 37042 |
| Solvent | CDCl3 |