| SpectraBase Compound ID | ECqMSTADRV3 |
|---|---|
| InChI | InChI=1S/C40H66O17/c1-16(26-23(43)13-22-20-7-6-18-12-19(42)8-10-39(18,3)21(20)9-11-40(22,26)4)53-38-35(34(51-5)27(44)17(2)54-38)57-37-33(50)31(48)29(46)25(56-37)15-52-36-32(49)30(47)28(45)24(14-41)55-36/h6,16-17,19-38,41-50H,7-15H2,1-5H3/t16?,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40-/m0/s1 |
| InChIKey | FJAQGHOBXXUAQL-BNFYMKRSSA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C40H66O17 |
| Exact Mass | 818.430001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BX1v8mWIFiA |
|---|---|
| Name | DELTA(5)-PREGNENE-3-BETA,16-BETA,20(R)-TRIOL-20-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-DIGITALOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H66O17 |
| InChI | InChI=1S/C40H66O17/c1-16(26-23(43)13-22-20-7-6-18-12-19(42)8-10-39(18,3)21(20)9-11-40(22,26)4)53-38-35(34(51-5)27(44)17(2)54-38)57-37-33(50)31(48)29(46)25(56-37)15-52-36-32(49)30(47)28(45)24(14-41)55-36/h6,16-17,19-38,41-50H,7-15H2,1-5H3/t16?,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40-/m0/s1 |
| InChIKey | FJAQGHOBXXUAQL-BNFYMKRSSA-N |
| Literature Reference Author | H.ITOKAWA,J.XU,K.TAKEYA |
| Literature Reference Citation | PHYTOCHEM.,27,1173(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80297-8 |
| Molecular Weight | 818.954 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1396 |