| SpectraBase Compound ID | 8KdLm19ykIp |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-43(2)13-15-48(42(61)62)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-34(58)36(32(56)37(68-41)38(59)60)67-40-33(57)35(29(53)24(19-50)64-40)66-39-31(55)30(54)28(52)23(18-49)63-39/h7,22-37,39-41,49-58H,8-20H2,1-6H3,(H,59,60)(H,61,62)/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34+,35-,36-,37-,39-,40-,41+,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | RJCDPJGGXBRLPL-OPOXGKMISA-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 | A01zv8Sb1Dm |
|---|---|
| Name | CARYOCAROSIDE_II-11;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYLHEDERAGENIN |
| Compound Number | 21 |
| 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)13-15-48(42(61)62)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-34(58)36(32(56)37(68-41)38(59)60)67-40-33(57)35(29(53)24(19-50)64-40)66-39-31(55)30(54)28(52)23(18-49)63-39/h7,22-37,39-41,49-58H,8-20H2,1-6H3,(H,59,60)(H,61,62)/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,34+,35-,36-,37-,39-,40-,41+,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | RJCDPJGGXBRLPL-OPOXGKMISA-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 | UWMZ18493 |