![3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID](/api/spectrum/1c212Hb8xA5/structure.png?h=300&w=458 "3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID")
| SpectraBase Compound ID | RGinuUrL3y |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-19-26(44)27(45)29(47)34(53-19)55-31-28(46)30(48)35(56-32(31)33(49)50)54-25-12-13-39(6)22(38(25,4)5)11-14-40(7)23(39)10-9-20-21-17-37(2,3)15-16-42(21,36(51)52)24(43)18-41(20,40)8/h9,19,21-32,34-35,43-48H,10-18H2,1-8H3,(H,49,50)(H,51,52)/t19-,21+,22+,23-,24-,25+,26-,27+,28-,29+,30-,31+,32+,34-,35-,39+,40-,41-,42-/m1/s1 |
| InChIKey | RLADGUJQCAQKPZ-ADLIFXPLSA-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 | 1c212Hb8xA5 |
|---|---|
| Name | 3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-19-26(44)27(45)29(47)34(53-19)55-31-28(46)30(48)35(56-32(31)33(49)50)54-25-12-13-39(6)22(38(25,4)5)11-14-40(7)23(39)10-9-20-21-17-37(2,3)15-16-42(21,36(51)52)24(43)18-41(20,40)8/h9,19,21-32,34-35,43-48H,10-18H2,1-8H3,(H,49,50)(H,51,52)/t19-,21+,22+,23-,24-,25+,26-,27+,28-,29+,30-,31+,32+,34-,35-,39+,40-,41-,42-/m1/s1 |
| InChIKey | RLADGUJQCAQKPZ-ADLIFXPLSA-N |
| Literature Reference Author | F.R.MELEK,T.MIYASE,S.M.A.KHALIK,M.R.EL-GINDI |
| Literature Reference Citation | PHYTOCHEM.,63,401(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00117-1 |
| Molecular Weight | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU29735 |