| SpectraBase Compound ID | KvU98FjHbHD |
|---|---|
| InChI | InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18+,19-,20-,21+,22-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+/m0/s1 |
| InChIKey | DRLHUZGVDNWMNU-IAMOWLHASA-N |
| Mol Weight | 740.9 g/mol |
| Molecular Formula | C39H64O13 |
| Exact Mass | 740.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vEashmq0ib |
|---|---|
| Name | TORVOSIDE-J;6-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSYL-(22R,23S,25S)-3-BETA,6-ALPHA,23-TRIHYDROXY-5-ALPHA-SPIROSTANE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H64O13 |
| InChI | InChI=1S/C39H64O13/c1-16-11-27(41)39(47-15-16)17(2)28-26(52-39)14-23-21-13-25(24-12-20(40)7-9-37(24,5)22(21)8-10-38(23,28)6)50-36-33(46)34(30(43)19(4)49-36)51-35-32(45)31(44)29(42)18(3)48-35/h16-36,40-46H,7-15H2,1-6H3/t16-,17-,18+,19-,20-,21+,22-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+/m0/s1 |
| InChIKey | DRLHUZGVDNWMNU-IAMOWLHASA-N |
| Literature Reference Author | Y.IIDA,Y.YANAI,M.ONO,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,1122(2005) |
| Literature Reference DOI | 10.1248/cpb.53.1122 |
| Molecular Weight | 740.929 g/mol |
| Sample ID | 54144 |
| Solvent | C5D5N |