| SpectraBase Compound ID | 5TcJgLz7SPi |
|---|---|
| InChI | InChI=1S/C40H66O16/c1-17(22-8-9-23-21-7-6-19-14-20(42)10-12-39(19,3)24(21)11-13-40(22,23)4)52-38-35(34(50-5)27(43)18(2)53-38)56-37-33(49)31(47)29(45)26(55-37)16-51-36-32(48)30(46)28(44)25(15-41)54-36/h6,17-18,20-38,41-49H,7-16H2,1-5H3/t17?,18-,20-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40+/m0/s1 |
| InChIKey | CSBVMGGUINEYEA-OXGXXLDHSA-N |
| Mol Weight | 803.0 g/mol |
| Molecular Formula | C40H66O16 |
| Exact Mass | 802.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIRszA8aRs8 |
|---|---|
| Name | DELTA(5)-PREGNENE-3-BETA,20(S)-DIOL-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 | C40H66O16 |
| InChI | InChI=1S/C40H66O16/c1-17(22-8-9-23-21-7-6-19-14-20(42)10-12-39(19,3)24(21)11-13-40(22,23)4)52-38-35(34(50-5)27(43)18(2)53-38)56-37-33(49)31(47)29(45)26(55-37)16-51-36-32(48)30(46)28(44)25(15-41)54-36/h6,17-18,20-38,41-49H,7-16H2,1-5H3/t17?,18-,20-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40+/m0/s1 |
| InChIKey | CSBVMGGUINEYEA-OXGXXLDHSA-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 | 802.954 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1402 |