| SpectraBase Compound ID | EIFokUdbGYj |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-37(2)11-13-42(36(52)53)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)57-35-31(51)32(28(48)24(18-44)55-35)56-34-30(50)29(49)27(47)23(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | NJMLUNVBNUKPNX-FBMFNCNSSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZZT5mYXv2L |
|---|---|
| Name | CARYOCAROSIDE_III-1;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLBAYOGENIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-37(2)11-13-42(36(52)53)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)57-35-31(51)32(28(48)24(18-44)55-35)56-34-30(50)29(49)27(47)23(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | NJMLUNVBNUKPNX-FBMFNCNSSA-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 | 812.993 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18486 |