| SpectraBase Compound ID | ADbkIR8pKW4 |
|---|---|
| InChI | InChI=1S/C49H78O20/c1-44(2)14-16-49(43(62)69-41-34(58)32(56)30(54)25(20-51)65-41)17-15-47(5)22(23(49)18-44)8-9-27-45(3)12-11-28(46(4,21-52)26(45)10-13-48(27,47)6)66-42-36(60)37(35(59)38(68-42)39(61)63-7)67-40-33(57)31(55)29(53)24(19-50)64-40/h8,23-38,40-42,50-60H,9-21H2,1-7H3/t23-,24+,25+,26+,27+,28-,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,40-,41-,42+,45-,46-,47+,48+,49-/m0/s1 |
| InChIKey | DHMZTCQZTJZCMG-GJQRIICQSA-N |
| Mol Weight | 987.1 g/mol |
| Molecular Formula | C49H78O20 |
| Exact Mass | 986.508645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cCanptQphn |
|---|---|
| Name | CARYOCAROSIDE_II-10;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-METHYL-GLUCOPYRANOSIDURONATE_HEDERAGENIN_28-O-BETA-GLUCOPYRANOSYLESTER |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O20 |
| InChI | InChI=1S/C49H78O20/c1-44(2)14-16-49(43(62)69-41-34(58)32(56)30(54)25(20-51)65-41)17-15-47(5)22(23(49)18-44)8-9-27-45(3)12-11-28(46(4,21-52)26(45)10-13-48(27,47)6)66-42-36(60)37(35(59)38(68-42)39(61)63-7)67-40-33(57)31(55)29(53)24(19-50)64-40/h8,23-38,40-42,50-60H,9-21H2,1-7H3/t23-,24+,25+,26+,27+,28-,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,40-,41-,42+,45-,46-,47+,48+,49-/m0/s1 |
| InChIKey | DHMZTCQZTJZCMG-GJQRIICQSA-N |
| Literature Reference Author | A.A.MAGID,L.VOUTQUENNE,C.MORETTI,C.LONG,C.LAVAUD |
| Literature Reference Citation | J.NAT.PROD.,69,196(2006) |
| Literature Reference DOI | 10.1021/np050336s |
| Molecular Weight | 987.146 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18504 |