| SpectraBase Compound ID | 5yrOJ4uzpPX |
|---|---|
| InChI | InChI=1S/C48H76O21/c1-43(2)11-13-48(42(63)69-40-32(58)30(56)28(54)24(18-50)65-40)14-12-46(5)20(21(48)15-43)7-8-26-44(3)16-22(52)37(45(4,19-51)25(44)9-10-47(26,46)6)68-41-34(60)35(33(59)36(67-41)38(61)62)66-39-31(57)29(55)27(53)23(17-49)64-39/h7,21-37,39-41,49-60H,8-19H2,1-6H3,(H,61,62)/t21-,22-,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 | XRUXVDFCCUYUFB-QKOBKHJNSA-N |
| Mol Weight | 989.1 g/mol |
| Molecular Formula | C48H76O21 |
| Exact Mass | 988.487909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IaSTVsfGtZo |
|---|---|
| Name | CARYOCAROSIDE_III-9;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYLBAYOGENIN_28-O-BETA-GLUCOPYRANOSYLESTER |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O21 |
| InChI | InChI=1S/C48H76O21/c1-43(2)11-13-48(42(63)69-40-32(58)30(56)28(54)24(18-50)65-40)14-12-46(5)20(21(48)15-43)7-8-26-44(3)16-22(52)37(45(4,19-51)25(44)9-10-47(26,46)6)68-41-34(60)35(33(59)36(67-41)38(61)62)66-39-31(57)29(55)27(53)23(17-49)64-39/h7,21-37,39-41,49-60H,8-19H2,1-6H3,(H,61,62)/t21-,22-,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 | XRUXVDFCCUYUFB-QKOBKHJNSA-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 | 989.119 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18499 |