| SpectraBase Compound ID | IIz33qUQzmo |
|---|---|
| InChI | InChI=1S/C42H70O16/c1-23(13-15-31(46)40(4,5)53)12-14-28(56-39-37(52)35(50)33(48)30(22-45)58-39)24(2)10-8-17-41(6)27(26(25(3)20-43)16-18-42(41,7)54)11-9-19-55-38-36(51)34(49)32(47)29(21-44)57-38/h10,12,20,27-30,32-39,44-45,47-54H,8-9,11,13-19,21-22H2,1-7H3/b23-12+,24-10+,26-25+/t27-,28?,29+,30+,32+,33+,34-,35-,36+,37+,38+,39+,41+,42+/m1/s1 |
| InChIKey | MULHNQJKMHOLAZ-BJHGTXOASA-N |
| Mol Weight | 831.0 g/mol |
| Molecular Formula | C42H70O16 |
| Exact Mass | 830.466386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6s8ymTd40uD |
|---|---|
| Name | 22-OXO-23-HYDROXY-ISOIRIDAL-3,16-DI-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O16 |
| InChI | InChI=1S/C42H70O16/c1-23(13-15-31(46)40(4,5)53)12-14-28(56-39-37(52)35(50)33(48)30(22-45)58-39)24(2)10-8-17-41(6)27(26(25(3)20-43)16-18-42(41,7)54)11-9-19-55-38-36(51)34(49)32(47)29(21-44)57-38/h10,12,20,27-30,32-39,44-45,47-54H,8-9,11,13-19,21-22H2,1-7H3/b23-12+,24-10+,26-25+/t27-,28?,29+,30+,32+,33+,34-,35-,36+,37+,38+,39+,41+,42+/m1/s1 |
| InChIKey | MULHNQJKMHOLAZ-BJHGTXOASA-N |
| Literature Reference Author | F.J.MARNER,A.N.B.SINGAB,M.M.AL-AZIZI,N.A.EL-EMARY,M.SCHAEFER |
| Literature Reference Citation | PHYTOCHEM.,60,301(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00110-3 |
| Molecular Weight | 831.008 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1618 |