![ZYGOPHYLOSIDE-K;3-O-[BETA-D-GLUCURONIC-ACID-PYRANOSYL]-29-HYDROXYOLEANOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER](/api/spectrum/HT8q1lUilOL/structure.png?h=300&w=458 "ZYGOPHYLOSIDE-K;3-O-[BETA-D-GLUCURONIC-ACID-PYRANOSYL]-29-HYDROXYOLEANOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | K2NUmBrVAiP |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-37(2)23-9-12-41(6)24(39(23,4)11-10-25(37)55-35-31(50)28(47)29(48)32(56-35)33(51)52)8-7-20-21-17-38(3,19-44)13-15-42(21,16-14-40(20,41)5)36(53)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,38+,39-,40+,41+,42-/m0/s1 |
| InChIKey | IDUNGWJLADYQNW-RQQYANAQSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HT8q1lUilOL |
|---|---|
| Name | ZYGOPHYLOSIDE-K;3-O-[BETA-D-GLUCURONIC-ACID-PYRANOSYL]-29-HYDROXYOLEANOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-37(2)23-9-12-41(6)24(39(23,4)11-10-25(37)55-35-31(50)28(47)29(48)32(56-35)33(51)52)8-7-20-21-17-38(3,19-44)13-15-42(21,16-14-40(20,41)5)36(53)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,38+,39-,40+,41+,42-/m0/s1 |
| InChIKey | IDUNGWJLADYQNW-RQQYANAQSA-N |
| Literature Reference Author | K.POELLMANN,K.SCHALLER,U.SCHWEIZER,M.H.A.ELGAMAL,K.H.SHAKER, K.SEIFERT |
| Literature Reference Citation | PHYTOCHEM.,48,875(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00981-3 |
| Molecular Weight | 810.977 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1261 |