| SpectraBase Compound ID | H3GqFEf1ydM |
|---|---|
| InChI | InChI=1S/C36H42O17/c1-17-27-28(31(29(17)47-19(3)38)52-26(42)14-13-23-11-9-8-10-12-23)24(34(43)44-7)15-46-35(27)53-36-33(50-22(6)41)32(49-21(5)40)30(48-20(4)39)25(51-36)16-45-18(2)37/h8-15,17,25,27-33,35-36H,16H2,1-7H3/b14-13+/t17-,25+,27+,28+,29+,30+,31-,32-,33+,35-,36-/m1/s1 |
| InChIKey | ULSLXILQJZFRQD-OMBBCZSDSA-N |
| Mol Weight | 746.7 g/mol |
| Molecular Formula | C36H42O17 |
| Exact Mass | 746.2422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LD1hgZBTtLb |
|---|---|
| Name | CAUDATOSIDE-A-PENTAACETATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42O17 |
| InChI | InChI=1S/C36H42O17/c1-17-27-28(31(29(17)47-19(3)38)52-26(42)14-13-23-11-9-8-10-12-23)24(34(43)44-7)15-46-35(27)53-36-33(50-22(6)41)32(49-21(5)40)30(48-20(4)39)25(51-36)16-45-18(2)37/h8-15,17,25,27-33,35-36H,16H2,1-7H3/b14-13+/t17-,25+,27+,28+,29+,30+,31-,32-,33+,35-,36-/m1/s1 |
| InChIKey | ULSLXILQJZFRQD-OMBBCZSDSA-N |
| Literature Reference Author | S.AYERS,A.T.SNEDEN |
| Literature Reference Citation | J.NAT.PROD.,65,1621(2002) |
| Literature Reference DOI | 10.1021/np020211c |
| Molecular Weight | 746.719 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7208 |