| SpectraBase Compound ID | 3gXnzVt2E4F |
|---|---|
| InChI | InChI=1S/C48H78O19/c1-43(2)13-15-48(42(60)61)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-40-35(58)37(31(54)25(19-50)63-40)67-41-36(59)38(32(55)26(20-51)64-41)66-39-34(57)33(56)30(53)24(18-49)62-39/h7,23-41,49-59H,8-21H2,1-6H3,(H,60,61)/t23-,24+,25+,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | FTLWHUSBDGDVFN-WSPCHAGMSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C48H78O19 |
| Exact Mass | 958.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EA7cHbqsYW6 |
|---|---|
| Name | CARYOCAROSIDE_II-3;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLHEDERAGENIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O19 |
| InChI | InChI=1S/C48H78O19/c1-43(2)13-15-48(42(60)61)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-40-35(58)37(31(54)25(19-50)63-40)67-41-36(59)38(32(55)26(20-51)64-41)66-39-34(57)33(56)30(53)24(18-49)62-39/h7,23-41,49-59H,8-21H2,1-6H3,(H,60,61)/t23-,24+,25+,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | FTLWHUSBDGDVFN-WSPCHAGMSA-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 | 959.136 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18489 |