| SpectraBase Compound ID | 4ssaWl8HJ2N |
|---|---|
| InChI | InChI=1S/C58H74N2O26/c1-29-43(67)48(72)54(58(79-29)80-36-19-10-32(11-20-36)12-21-40(64)60-25-5-4-24-59-30(2)62)86-57-51(75)53(46(70)39(83-57)28-78-42(66)23-14-33-8-17-35(76-3)18-9-33)85-56-50(74)52(45(69)37(26-61)81-56)84-55-49(73)47(71)44(68)38(82-55)27-77-41(65)22-13-31-6-15-34(63)16-7-31/h6-23,29,37-39,43-58,61,63,67-75H,4-5,24-28H2,1-3H3,(H,59,62)(H,60,64)/b21-12+,22-13+,23-14+/t29-,37+,38+,39+,43-,44+,45+,46+,47-,48+,49+,50+,51+,52-,53-,54+,55-,56-,57-,58-/m0/s1 |
| InChIKey | SBVHNFPGQHNIOJ-GSTSGNIXSA-N |
| Mol Weight | 1215.2 g/mol |
| Molecular Formula | C58H74N2O26 |
| Exact Mass | 1214.45298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWrN2my6NHE |
|---|---|
| Name | #2;CLERODENDIOD-B;6-O-E-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)-(6-O-E-PARA-METHOXYCINNAMOYL)-BETA-D-GLUCOPYRANOSYL-(1->2)-[4- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H74N2O26 |
| InChI | InChI=1S/C58H74N2O26/c1-29-43(67)48(72)54(58(79-29)80-36-19-10-32(11-20-36)12-21-40(64)60-25-5-4-24-59-30(2)62)86-57-51(75)53(46(70)39(83-57)28-78-42(66)23-14-33-8-17-35(76-3)18-9-33)85-56-50(74)52(45(69)37(26-61)81-56)84-55-49(73)47(71)44(68)38(82-55)27-77-41(65)22-13-31-6-15-34(63)16-7-31/h6-23,29,37-39,43-58,61,63,67-75H,4-5,24-28H2,1-3H3,(H,59,62)(H,60,64)/b21-12+,22-13+,23-14+/t29-,37+,38+,39+,43-,44+,45+,46+,47-,48+,49+,50+,51+,52-,53-,54+,55-,56-,57-,58-/m0/s1 |
| InChIKey | SBVHNFPGQHNIOJ-GSTSGNIXSA-N |
| Literature Reference Author | P.WANG,L.SUN,J.TAN,J.XU,F.GUO,Y.LI |
| Literature Reference Citation | FITOTERAPIA,83,1494(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2012.08.016 |
| Molecular Weight | 1215.223 g/mol |
| Sample ID | 72082 |
| Solvent | DMSO-D6 |