| SpectraBase Compound ID | HSLg3TfJaU4 |
|---|---|
| InChI | InChI=1S/C56H90O20/c1-27(2)28(3)21-41(58)73-40-26-39-52(9)17-16-35(22-34(52)15-18-55(39,62)56(63)20-19-54(61,33(8)57)53(40,56)10)72-42-23-36(64-11)47(30(5)68-42)74-43-24-37(65-12)48(31(6)69-43)75-44-25-38(66-13)49(32(7)70-44)76-51-46(60)50(67-14)45(59)29(4)71-51/h15,21,27,29-32,35-40,42-51,59-63H,16-20,22-26H2,1-14H3/b28-21+/t29?,30?,31?,32?,35-,36-,37+,38-,39+,40+,42-,43+,44-,45-,46-,47+,48-,49+,50+,51+,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | VFQWGELIWWQTBQ-XAZCMUPISA-N |
| Mol Weight | 1083.3 g/mol |
| Molecular Formula | C56H90O20 |
| Exact Mass | 1082.602545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cp1bssV9fPO |
|---|---|
| Name | CAUDATIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O20 |
| InChI | InChI=1S/C56H90O20/c1-27(2)28(3)21-41(58)73-40-26-39-52(9)17-16-35(22-34(52)15-18-55(39,62)56(63)20-19-54(61,33(8)57)53(40,56)10)72-42-23-36(64-11)47(30(5)68-42)74-43-24-37(65-12)48(31(6)69-43)75-44-25-38(66-13)49(32(7)70-44)76-51-46(60)50(67-14)45(59)29(4)71-51/h15,21,27,29-32,35-40,42-51,59-63H,16-20,22-26H2,1-14H3/b28-21+/t29?,30?,31?,32?,35-,36-,37+,38-,39+,40+,42-,43+,44-,45-,46-,47+,48-,49+,50+,51+,52-,53+,54+,55-,56+/m0/s1 |
| InChIKey | VFQWGELIWWQTBQ-XAZCMUPISA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1083.319 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20263 |