| SpectraBase Compound ID | CNlgHzfX4vx |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-37(2)11-13-42(36(53)54)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)58-35-29(50)30(28(49)31(57-35)33(51)52)56-34-27(48)26(47)25(46)22(17-43)55-34/h7,20-32,34-35,43-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)/t20-,21-,22+,23+,24+,25-,26-,27+,28-,29+,30-,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | IKELIKIYBOATQL-VSXJUCEPSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AGff92R67yE |
|---|---|
| Name | CARYOCAROSIDE_III-7;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYLBAYOGENIN |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-37(2)11-13-42(36(53)54)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)58-35-29(50)30(28(49)31(57-35)33(51)52)56-34-27(48)26(47)25(46)22(17-43)55-34/h7,20-32,34-35,43-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)/t20-,21-,22+,23+,24+,25-,26-,27+,28-,29+,30-,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | IKELIKIYBOATQL-VSXJUCEPSA-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 | 826.976 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18496 |