![ASTER-SAPONIN-HA;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[ARABINOPYRANOSYL]-ESTER](/api/spectrum/EvNveSn39ue/structure.png?h=300&w=458 "ASTER-SAPONIN-HA;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[ARABINOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | 9yxHblR5zRo |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-37(2)15-16-42(36(51)56-34-30(48)27(45)22(43)19-53-34)21(17-37)20-9-10-24-39(5)13-12-26(54-35-31(49)28(46)29(47)32(55-35)33(50)52-8)38(3,4)23(39)11-14-40(24,6)41(20,7)18-25(42)44/h9,21-32,34-35,43-49H,10-19H2,1-8H3/t21?,22-,23?,24?,25+,26-,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42+/m0/s1 |
| InChIKey | UWVQPOSPJMYNFO-NIDBPPOBSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvNveSn39ue |
|---|---|
| Name | ASTER-SAPONIN-HA;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[ARABINOPYRANOSYL]-ESTER |
| Compound Number | 48 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-37(2)15-16-42(36(51)56-34-30(48)27(45)22(43)19-53-34)21(17-37)20-9-10-24-39(5)13-12-26(54-35-31(49)28(46)29(47)32(55-35)33(50)52-8)38(3,4)23(39)11-14-40(24,6)41(20,7)18-25(42)44/h9,21-32,34-35,43-49H,10-19H2,1-8H3/t21?,22-,23?,24?,25+,26-,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42+/m0/s1 |
| InChIKey | UWVQPOSPJMYNFO-NIDBPPOBSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1054 |