| SpectraBase Compound ID | 3Nhnfdju7gb |
|---|---|
| InChI | InChI=1S/C63H94O26/c1-30-54(87-46-25-38(77-8)55(31(2)81-46)88-47-26-39(78-9)56(32(3)82-47)89-58-53(72)51(70)49(68)41(85-58)29-79-57-52(71)50(69)48(67)40(28-64)84-57)37(76-7)24-45(80-30)83-36-18-19-59(5)35(23-36)17-20-62(74)42(59)27-43(86-44(66)16-15-34-13-11-10-12-14-34)60(6)61(73,33(4)65)21-22-63(60,62)75/h10-17,30-32,36-43,45-58,64,67-75H,18-29H2,1-9H3/b16-15+/t30-,31+,32-,36+,37+,38-,39-,40+,41+,42?,43-,45+,46-,47+,48+,49+,50-,51-,52+,53+,54-,55+,56-,57+,58-,59+,60-,61-,62+,63-/m1/s1 |
| InChIKey | SCXRZABOQTXWKZ-HZHCHPEISA-N |
| Mol Weight | 1267.4 g/mol |
| Molecular Formula | C63H94O26 |
| Exact Mass | 1266.603333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7iz6QPwJa7g |
|---|---|
| Name | KIDJOLANIN_3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL- |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H94O26 |
| InChI | InChI=1S/C63H94O26/c1-30-54(87-46-25-38(77-8)55(31(2)81-46)88-47-26-39(78-9)56(32(3)82-47)89-58-53(72)51(70)49(68)41(85-58)29-79-57-52(71)50(69)48(67)40(28-64)84-57)37(76-7)24-45(80-30)83-36-18-19-59(5)35(23-36)17-20-62(74)42(59)27-43(86-44(66)16-15-34-13-11-10-12-14-34)60(6)61(73,33(4)65)21-22-63(60,62)75/h10-17,30-32,36-43,45-58,64,67-75H,18-29H2,1-9H3/b16-15+/t30-,31+,32-,36+,37+,38-,39-,40+,41+,42?,43-,45+,46-,47+,48+,49+,50-,51-,52+,53+,54-,55+,56-,57+,58-,59+,60-,61-,62+,63-/m1/s1 |
| InChIKey | SCXRZABOQTXWKZ-HZHCHPEISA-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 | 1267.424 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18256 |