| SpectraBase Compound ID | 8jyBZa4DZZn |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-43(2)12-14-48(42(61)62)15-13-46(6)20(21(48)16-43)8-9-26-45(5)17-22(51)37(44(3,4)25(45)10-11-47(26,46)7)68-41-33(58)35(31(56)36(67-41)38(59)60)66-40-32(57)34(28(53)24(19-50)64-40)65-39-30(55)29(54)27(52)23(18-49)63-39/h8,21-37,39-41,49-58H,9-19H2,1-7H3,(H,59,60)(H,61,62)/t21-,22-,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,39-,40-,41-,45-,46+,47+,48-/m0/s1 |
| InChIKey | GKHSJWNUABPFAP-XFGOWMAWSA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cFqf8e5e9R |
|---|---|
| Name | CARYOCAROSIDE_IV-11;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL-2-BETA-HYDROXYOLEANOLIC_ACID |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-43(2)12-14-48(42(61)62)15-13-46(6)20(21(48)16-43)8-9-26-45(5)17-22(51)37(44(3,4)25(45)10-11-47(26,46)7)68-41-33(58)35(31(56)36(67-41)38(59)60)66-40-32(57)34(28(53)24(19-50)64-40)65-39-30(55)29(54)27(52)23(18-49)63-39/h8,21-37,39-41,49-58H,9-19H2,1-7H3,(H,59,60)(H,61,62)/t21-,22-,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,39-,40-,41-,45-,46+,47+,48-/m0/s1 |
| InChIKey | GKHSJWNUABPFAP-XFGOWMAWSA-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 | 973.119 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18492 |