![28-O-[GLUCOPYRANOSYL-(1->3)-2[3-[(4-HYDROXY-3-METHOXY)-PHENYL]-PROPIONYLOXY]-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/KISF0XmURvg/structure.png?h=300&w=458 "28-O-[GLUCOPYRANOSYL-(1->3)-2[3-[(4-HYDROXY-3-METHOXY)-PHENYL]-PROPIONYLOXY]-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | KPTSnBQt6Sv |
|---|---|
| InChI | InChI=1S/C51H76O16/c1-46(2)19-20-51(28(22-46)27-11-13-34-48(5)17-16-35(55)47(3,4)33(48)15-18-49(34,6)50(27,7)23-36(51)56)45(61)67-44-42(65-37(57)14-10-26-9-12-29(53)31(21-26)62-8)41(30(54)25-63-44)66-43-40(60)39(59)38(58)32(24-52)64-43/h9,11-12,21,28,30,32-36,38-44,52-56,58-60H,10,13-20,22-25H2,1-8H3/t28?,30-,32+,33?,34?,35-,36+,38+,39-,40+,41-,42+,43-,44-,48-,49+,50+,51+/m0/s1 |
| InChIKey | ZIEJINKTIDWSTF-GRQWTSKBSA-N |
| Mol Weight | 945.2 g/mol |
| Molecular Formula | C51H76O16 |
| Exact Mass | 944.513336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KISF0XmURvg |
|---|---|
| Name | 28-O-[GLUCOPYRANOSYL-(1->3)-2[3-[(4-HYDROXY-3-METHOXY)-PHENYL]-PROPIONYLOXY]-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H76O16 |
| InChI | InChI=1S/C51H76O16/c1-46(2)19-20-51(28(22-46)27-11-13-34-48(5)17-16-35(55)47(3,4)33(48)15-18-49(34,6)50(27,7)23-36(51)56)45(61)67-44-42(65-37(57)14-10-26-9-12-29(53)31(21-26)62-8)41(30(54)25-63-44)66-43-40(60)39(59)38(58)32(24-52)64-43/h9,11-12,21,28,30,32-36,38-44,52-56,58-60H,10,13-20,22-25H2,1-8H3/t28?,30-,32+,33?,34?,35-,36+,38+,39-,40+,41-,42+,43-,44-,48-,49+,50+,51+/m0/s1 |
| InChIKey | ZIEJINKTIDWSTF-GRQWTSKBSA-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 | 945.155 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1033 |