![ZYGOPHYLOSIDE-I;3-O-[BETA-D-GLUCURONIC-ACID-PYRANOSYL]-ARJUNOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER](/api/spectrum/7IDwNtafqUi/structure.png?h=300&w=458 "ZYGOPHYLOSIDE-I;3-O-[BETA-D-GLUCURONIC-ACID-PYRANOSYL]-ARJUNOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | JgSi5HfcREN |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20-,21+,22+,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | YQDXYGOKFNYKCJ-VKPIMMABSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7IDwNtafqUi |
|---|---|
| Name | ZYGOPHYLOSIDE-I;3-O-[BETA-D-GLUCURONIC-ACID-PYRANOSYL]-ARJUNOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20-,21+,22+,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | YQDXYGOKFNYKCJ-VKPIMMABSA-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 | 826.976 g/mol |
| Solvent | CD3OD:C5D5N=3:2 |
| Source File Reference | UWMS1259 |