| SpectraBase Compound ID | DAzahfW8jd3 |
|---|---|
| InChI | InChI=1S/C70H106O30/c1-32-58(40(84-8)26-48(89-32)93-39-20-21-66(6)38(25-39)19-22-69(82)45(66)29-46(96-47(73)18-17-37-15-13-12-14-16-37)67(7)68(81,36(5)72)23-24-70(67,69)83)97-49-27-41(85-9)60(34(3)90-49)100-65-57(80)62(87-11)61(35(4)92-65)98-50-28-42(86-10)59(33(2)91-50)99-64-56(79)54(77)52(75)44(95-64)31-88-63-55(78)53(76)51(74)43(30-71)94-63/h12-19,32-35,39-46,48-65,71,74-83H,20-31H2,1-11H3/b18-17+/t32-,33+,34+,35-,39+,40+,41-,42+,43-,44-,45?,46-,48+,49-,50-,51-,52-,53+,54+,55-,56-,57-,58-,59+,60+,61+,62-,63-,64+,65+,66+,67-,68-,69+,70-/m1/s1 |
| InChIKey | VBSFGTFDWOZVGT-QDLYLXLNSA-N |
| Mol Weight | 1427.6 g/mol |
| Molecular Formula | C70H106O30 |
| Exact Mass | 1426.676892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSB6QpUHbT6 |
|---|---|
| Name | 12-O-BETA-CINNAMOYLDEACETYLMETAPLEXIGENIN_3-BETA-O-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4 |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H106O30 |
| InChI | InChI=1S/C70H106O30/c1-32-58(40(84-8)26-48(89-32)93-39-20-21-66(6)38(25-39)19-22-69(82)45(66)29-46(96-47(73)18-17-37-15-13-12-14-16-37)67(7)68(81,36(5)72)23-24-70(67,69)83)97-49-27-41(85-9)60(34(3)90-49)100-65-57(80)62(87-11)61(35(4)92-65)98-50-28-42(86-10)59(33(2)91-50)99-64-56(79)54(77)52(75)44(95-64)31-88-63-55(78)53(76)51(74)43(30-71)94-63/h12-19,32-35,39-46,48-65,71,74-83H,20-31H2,1-11H3/b18-17+/t32-,33+,34+,35-,39+,40+,41-,42+,43-,44-,45?,46-,48+,49-,50-,51-,52-,53+,54+,55-,56-,57-,58-,59+,60+,61+,62-,63-,64+,65+,66+,67-,68-,69+,70-/m1/s1 |
| InChIKey | VBSFGTFDWOZVGT-QDLYLXLNSA-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 | 1427.594 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18260 |