| SpectraBase Compound ID | BsOmvNOEQji |
|---|---|
| InChI | InChI=1S/C48H78O20/c1-43(2)11-13-48(42(61)62)14-12-46(5)21(22(48)15-43)7-8-28-44(3)16-23(53)38(45(4,20-52)27(44)9-10-47(28,46)6)68-41-35(60)37(31(56)26(19-51)65-41)67-40-34(59)36(30(55)25(18-50)64-40)66-39-33(58)32(57)29(54)24(17-49)63-39/h7,22-41,49-60H,8-20H2,1-6H3,(H,61,62)/t22-,23-,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 | XZQABKURQWHUHE-IMTYLIJFSA-N |
| Mol Weight | 975.1 g/mol |
| Molecular Formula | C48H78O20 |
| Exact Mass | 974.508645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkfZPKDUG76 |
|---|---|
| Name | CARYOCAROSIDE_III-3;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLBAYOGENIN |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O20 |
| InChI | InChI=1S/C48H78O20/c1-43(2)11-13-48(42(61)62)14-12-46(5)21(22(48)15-43)7-8-28-44(3)16-23(53)38(45(4,20-52)27(44)9-10-47(28,46)6)68-41-35(60)37(31(56)26(19-51)65-41)67-40-34(59)36(30(55)25(18-50)64-40)66-39-33(58)32(57)29(54)24(17-49)63-39/h7,22-41,49-60H,8-20H2,1-6H3,(H,61,62)/t22-,23-,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 | XZQABKURQWHUHE-IMTYLIJFSA-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 | 975.135 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18490 |