| SpectraBase Compound ID | 32FJYTRn8hZ |
|---|---|
| InChI | InChI=1S/C70H106O29/c1-33-60(41(83-8)26-50(88-33)92-40-20-21-66(6)39(25-40)19-22-69(81)47(66)30-48(95-49(73)18-17-38-15-13-12-14-16-38)67(7)68(80,37(5)72)23-24-70(67,69)82)96-51-27-42(84-9)61(34(2)89-51)97-52-28-43(85-10)62(35(3)90-52)98-53-29-44(86-11)63(36(4)91-53)99-65-59(79)57(77)55(75)46(94-65)32-87-64-58(78)56(76)54(74)45(31-71)93-64/h12-19,33-36,40-48,50-65,71,74-82H,20-32H2,1-11H3/b18-17+/t33-,34+,35-,36+,40+,41-,42-,43-,44+,45-,46-,47?,48-,50+,51-,52+,53-,54-,55-,56+,57+,58-,59-,60-,61+,62-,63+,64-,65+,66+,67-,68-,69+,70-/m1/s1 |
| InChIKey | IZVJQKGPKMKGCD-HIFIMDTNSA-N |
| Mol Weight | 1411.6 g/mol |
| Molecular Formula | C70H106O29 |
| Exact Mass | 1410.681977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZAl5BR86Kd |
|---|---|
| Name | 12-BETA-O-CINNAMOYLDEACETYLMETAPLEXIGENIN_3-BETA-O-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1-> |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H106O29 |
| InChI | InChI=1S/C70H106O29/c1-33-60(41(83-8)26-50(88-33)92-40-20-21-66(6)39(25-40)19-22-69(81)47(66)30-48(95-49(73)18-17-38-15-13-12-14-16-38)67(7)68(80,37(5)72)23-24-70(67,69)82)96-51-27-42(84-9)61(34(2)89-51)97-52-28-43(85-10)62(35(3)90-52)98-53-29-44(86-11)63(36(4)91-53)99-65-59(79)57(77)55(75)46(94-65)32-87-64-58(78)56(76)54(74)45(31-71)93-64/h12-19,33-36,40-48,50-65,71,74-82H,20-32H2,1-11H3/b18-17+/t33-,34+,35-,36+,40+,41-,42-,43-,44+,45-,46-,47?,48-,50+,51-,52+,53-,54-,55-,56+,57+,58-,59-,60-,61+,62-,63+,64-,65+,66+,67-,68-,69+,70-/m1/s1 |
| InChIKey | IZVJQKGPKMKGCD-HIFIMDTNSA-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 | 1411.594 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18259 |