| SpectraBase Compound ID | Ca6g7iMOmEt |
|---|---|
| InChI | InChI=1S/C48H82O18/c1-22(9-13-31(45(4,5)60)66-43-40(59)37(56)34(53)28(64-43)21-61-41-38(57)35(54)32(51)26(19-49)62-41)23-15-16-48(8)29-12-10-24-25(46(29,6)17-18-47(23,48)7)11-14-30(44(24,2)3)65-42-39(58)36(55)33(52)27(20-50)63-42/h10,22-23,25-43,49-60H,9,11-21H2,1-8H3/t22?,23-,25-,26+,27-,28+,29-,30+,31+,32+,33-,34+,35-,36+,37-,38+,39-,40+,41+,42+,43-,46+,47-,48+/m1/s1 |
| InChIKey | ACQZDPFYFKJNJQ-PTIGTUNGSA-N |
| Mol Weight | 947.2 g/mol |
| Molecular Formula | C48H82O18 |
| Exact Mass | 946.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVOciNuZkm7 |
|---|---|
| Name | 11-DEOXYMOGROSIDE_III;3-O-BETA-D-GLUCOPYRANOSYL_11-DEOXYMOGROL-24-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H82O18 |
| InChI | InChI=1S/C48H82O18/c1-22(9-13-31(45(4,5)60)66-43-40(59)37(56)34(53)28(64-43)21-61-41-38(57)35(54)32(51)26(19-49)62-41)23-15-16-48(8)29-12-10-24-25(46(29,6)17-18-47(23,48)7)11-14-30(44(24,2)3)65-42-39(58)36(55)33(52)27(20-50)63-42/h10,22-23,25-43,49-60H,9,11-21H2,1-8H3/t22?,23-,25-,26+,27-,28+,29-,30+,31+,32+,33-,34+,35-,36+,37-,38+,39-,40+,41+,42+,43-,46+,47-,48+/m1/s1 |
| InChIKey | ACQZDPFYFKJNJQ-PTIGTUNGSA-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 | 947.168 g/mol |
| Sample ID | 30268 |
| Solvent | C5D5N |