| SpectraBase Compound ID | G4aJfLCyGzp |
|---|---|
| InChI | InChI=1S/C42H72O14/c1-20(9-13-27(45)39(4,5)56-37-35(52)33(50)31(48)25(19-44)54-37)21-15-16-40(6)26-12-10-22-23(42(26,8)28(46)17-41(21,40)7)11-14-29(38(22,2)3)55-36-34(51)32(49)30(47)24(18-43)53-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20?,21-,23-,24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1 |
| InChIKey | OMJOQOVMHUWPCF-PBYLDFNBSA-N |
| Mol Weight | 801.0 g/mol |
| Molecular Formula | C42H72O14 |
| Exact Mass | 800.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bXvNk0UoXh |
|---|---|
| Name | MOGROSIDE_II_B;MOGROL_3,25-DI-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O14 |
| InChI | InChI=1S/C42H72O14/c1-20(9-13-27(45)39(4,5)56-37-35(52)33(50)31(48)25(19-44)54-37)21-15-16-40(6)26-12-10-22-23(42(26,8)28(46)17-41(21,40)7)11-14-29(38(22,2)3)55-36-34(51)32(49)30(47)24(18-43)53-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20?,21-,23-,24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1 |
| InChIKey | OMJOQOVMHUWPCF-PBYLDFNBSA-N |
| Literature Reference Author | T.AKIHISA,Y.HAYAKAWA,H.TOKUDA,N.BANNO,N.SHIMIZU,T.SUZUKI,Y.K IMURA |
| Literature Reference Citation | J.NAT.PROD.,70,783(2007) |
| Literature Reference DOI | 10.1021/np068074x |
| Molecular Weight | 801.025 g/mol |
| Sample ID | 30266 |
| Solvent | C5D5N |