| SpectraBase Compound ID | LNXAhE1Ktu9 |
|---|---|
| InChI | InChI=1S/C40H62O16/c1-15-25-23(53-35(15)49)13-22-20-7-6-18-12-19(8-10-39(18,4)21(20)9-11-40(22,25)5)52-38-34(56-37-31(47)29(45)27(43)17(3)51-37)32(48)33(24(14-41)54-38)55-36-30(46)28(44)26(42)16(2)50-36/h6,15-17,19-34,36-38,41-48H,7-14H2,1-5H3/t15-,16-,17-,19-,20?,21?,22?,23?,24+,25?,26-,27-,28+,29+,30+,31+,32-,33+,34+,36-,37-,38+,39-,40-/m0/s1 |
| InChIKey | DITLNCLWUCYKIJ-VTAFFGMTSA-N |
| Mol Weight | 798.9 g/mol |
| Molecular Formula | C40H62O16 |
| Exact Mass | 798.403786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oqgS97kQ0o |
|---|---|
| Name | DUMOSIDE;(20S)-3-BETA,16-BETA-DIHYDROXYPREGN-5-ENE-22-CARBOXYLIC-ACID-(22,16)-LACTONE-3-O-BETA-CHACOTRIOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62O16 |
| InChI | InChI=1S/C40H62O16/c1-15-25-23(53-35(15)49)13-22-20-7-6-18-12-19(8-10-39(18,4)21(20)9-11-40(22,25)5)52-38-34(56-37-31(47)29(45)27(43)17(3)51-37)32(48)33(24(14-41)54-38)55-36-30(46)28(44)26(42)16(2)50-36/h6,15-17,19-34,36-38,41-48H,7-14H2,1-5H3/t15-,16-,17-,19-,20?,21?,22?,23?,24+,25?,26-,27-,28+,29+,30+,31+,32-,33+,34+,36-,37-,38+,39-,40-/m0/s1 |
| InChIKey | DITLNCLWUCYKIJ-VTAFFGMTSA-N |
| Literature Reference Author | V.U.AHMAD,S.M.KHALIQ-UZ-ZAMAN,S.SHAMEEL,S.PERVEEN,Z.ALI |
| Literature Reference Citation | PHYTOCHEM.,50,481(1999) |
| Literature Reference DOI | 10.1016/s0031-9422(98)00566-4 |
| Molecular Weight | 798.923 g/mol |
| Solvent | CD3OD |