| SpectraBase Compound ID | DB6Mx0q8Iwh |
|---|---|
| InChI | InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h22-31,33-34,42-46H,8-19H2,1-7H3,(H,47,48)(H,49,50)/t22-,23+,24-,25+,26+,27-,28+,29-,30+,31+,33+,34-,38+,39-,40-,41+/m1/s1 |
| InChIKey | UFYCLHBSIKXUBO-PFDCPPQJSA-N |
| Mol Weight | 764.9 g/mol |
| Molecular Formula | C41H64O13 |
| Exact Mass | 764.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2E3iP1KYjZ0 |
|---|---|
| Name | SCOPARIANOSIDE-C;3-BETA-HYDROXY-OLEAN-13(18)-EN-28-OIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDURONIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O13 |
| InChI | InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h22-31,33-34,42-46H,8-19H2,1-7H3,(H,47,48)(H,49,50)/t22-,23+,24-,25+,26+,27-,28+,29-,30+,31+,33+,34-,38+,39-,40-,41+/m1/s1 |
| InChIKey | UFYCLHBSIKXUBO-PFDCPPQJSA-N |
| Literature Reference Author | M.YOSHIKAWA,H.SHIMADA,T.MORIKAWA,S.YOSHIZUMI,N.MATSUMURA,T.M URAKAMI,H.MATSUDA,K. |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,1300(1997) |
| Literature Reference DOI | 10.1248/cpb.45.1300 |
| Molecular Weight | 764.951 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28913 |