| SpectraBase Compound ID | 3LvylMdcihT |
|---|---|
| InChI | InChI=1S/C41H64O14/c1-36(2)16-20-19-8-9-23-38(5)12-11-25(37(3,4)22(38)10-13-40(23,7)39(19,6)14-15-41(20,35(50)51)24(43)17-36)53-34-29(47)30(28(46)31(55-34)32(48)49)54-33-27(45)26(44)21(42)18-52-33/h8,20-31,33-34,42-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)/t20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1 |
| InChIKey | FOCJYVVPFHSVGZ-NETVJPFDSA-N |
| Mol Weight | 780.9 g/mol |
| Molecular Formula | C41H64O14 |
| Exact Mass | 780.429607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LN6AeBniRmb |
|---|---|
| Name | SCOPARIANOSIDE-A;22-ALPHA-HYDROXY-OLEAN-12-EN-28-OIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDURONIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O14 |
| InChI | InChI=1S/C41H64O14/c1-36(2)16-20-19-8-9-23-38(5)12-11-25(37(3,4)22(38)10-13-40(23,7)39(19,6)14-15-41(20,35(50)51)24(43)17-36)53-34-29(47)30(28(46)31(55-34)32(48)49)54-33-27(45)26(44)21(42)18-52-33/h8,20-31,33-34,42-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)/t20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1 |
| InChIKey | FOCJYVVPFHSVGZ-NETVJPFDSA-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 | 780.951 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28911 |