| SpectraBase Compound ID | 3wasmHHSh6H |
|---|---|
| InChI | InChI=1S/C40H68O17/c1-17(16-53-35-33(49)31(47)29(45)25(14-41)55-35)6-9-40(52-5)18(2)28-23(57-40)11-21-19-10-27(44)39(51)12-22(43)24(13-38(39,4)20(19)7-8-37(21,28)3)54-36-34(50)32(48)30(46)26(15-42)56-36/h17-36,41-51H,6-16H2,1-5H3/t17-,18+,19-,20+,21+,22-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36+,37?,38?,39+,40?/m1/s1 |
| InChIKey | IHHVXRVETZYBSD-HWVFNRIJSA-N |
| Mol Weight | 821.0 g/mol |
| Molecular Formula | C40H68O17 |
| Exact Mass | 820.445651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IllPPBSTvCd |
|---|---|
| Name | 26-O-BETA-D-GLUCOPYRANOSYL-22-XI-METHOXY-2-ALPHA,3-BETA,5,6-BETA,26-PENTAHYDROXY-(25R)-5-ALPHA-FUROSTANE-2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 44 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68O17 |
| InChI | InChI=1S/C40H68O17/c1-17(16-53-35-33(49)31(47)29(45)25(14-41)55-35)6-9-40(52-5)18(2)28-23(57-40)11-21-19-10-27(44)39(51)12-22(43)24(13-38(39,4)20(19)7-8-37(21,28)3)54-36-34(50)32(48)30(46)26(15-42)56-36/h17-36,41-51H,6-16H2,1-5H3/t17-,18+,19-,20+,21+,22-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36+,37?,38?,39+,40?/m1/s1 |
| InChIKey | IHHVXRVETZYBSD-HWVFNRIJSA-N |
| Literature Reference Author | P.K.AGRAWAL |
| Literature Reference Citation | STEROIDS,70,715(2005) |
| Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
| Molecular Weight | 820.970 g/mol |
| Sample ID | 968789 |
| Solvent | C5D5N |