| SpectraBase Compound ID | qdjKv1ScQq |
|---|---|
| InChI | InChI=1S/C64H96O25/c1-31-53(86-47-27-40(76-9)54(32(2)80-47)87-48-28-41(77-10)55(33(3)81-48)88-59-52(71)57(78-11)56(34(4)82-59)89-58-51(70)50(69)49(68)42(30-65)84-58)39(75-8)26-46(79-31)83-38-20-21-60(6)37(25-38)19-22-63(73)43(60)29-44(85-45(67)18-17-36-15-13-12-14-16-36)61(7)62(72,35(5)66)23-24-64(61,63)74/h12-19,31-34,38-44,46-59,65,68-74H,20-30H2,1-11H3/b18-17+/t31-,32+,33-,34+,38+,39+,40-,41+,42-,43?,44-,46+,47-,48+,49-,50+,51-,52+,53-,54+,55-,56+,57+,58+,59-,60+,61-,62-,63+,64-/m1/s1 |
| InChIKey | KVMSBPUIMUZEIE-FBYYDYDZSA-N |
| Mol Weight | 1265.4 g/mol |
| Molecular Formula | C64H96O25 |
| Exact Mass | 1264.624069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtjVrYMRfAJ |
|---|---|
| Name | 12-O-CINNAMOYLDEACETYLMETAPLEXIGENIN_3-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4) |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H96O25 |
| InChI | InChI=1S/C64H96O25/c1-31-53(86-47-27-40(76-9)54(32(2)80-47)87-48-28-41(77-10)55(33(3)81-48)88-59-52(71)57(78-11)56(34(4)82-59)89-58-51(70)50(69)49(68)42(30-65)84-58)39(75-8)26-46(79-31)83-38-20-21-60(6)37(25-38)19-22-63(73)43(60)29-44(85-45(67)18-17-36-15-13-12-14-16-36)61(7)62(72,35(5)66)23-24-64(61,63)74/h12-19,31-34,38-44,46-59,65,68-74H,20-30H2,1-11H3/b18-17+/t31-,32+,33-,34+,38+,39+,40-,41+,42-,43?,44-,46+,47-,48+,49-,50+,51-,52+,53-,54+,55-,56+,57+,58+,59-,60+,61-,62-,63+,64-/m1/s1 |
| InChIKey | KVMSBPUIMUZEIE-FBYYDYDZSA-N |
| Literature Reference Author | G.CIOFFI,R.SANOGO,A.VASSALLO,F.D.PIAZ,G.AUTORE,S.MARZOCCO,N. DETOMMASI |
| Literature Reference Citation | J.NAT.PROD.,69,625(2006) |
| Literature Reference DOI | 10.1021/np050493r |
| Molecular Weight | 1265.451 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18257 |