| SpectraBase Compound ID | ISrLjkav2NE |
|---|---|
| InChI | InChI=1S/C71H102O26/c1-36-59(94-53-32-46(83-9)60(37(2)87-53)95-54-33-47(84-10)61(38(3)88-54)96-66-58(77)63(85-11)62(39(4)89-66)97-65-57(76)56(75)55(74)48(35-72)92-65)45(82-8)31-52(86-36)91-44-25-26-67(6)43(30-44)24-27-70(80)49(67)34-50(93-51(73)23-22-41-18-14-12-15-19-41)68(7)69(79,28-29-71(68,70)81)40(5)90-64(78)42-20-16-13-17-21-42/h12-24,36-40,44-50,52-63,65-66,72,74-77,79-81H,25-35H2,1-11H3/b23-22+/t36-,37+,38-,39+,40?,44+,45+,46+,47-,48-,49?,50?,52+,53-,54+,55-,56+,57-,58+,59-,60+,61-,62+,63-,65+,66-,67+,68-,69+,70+,71-/m1/s1 |
| InChIKey | YEUOZAYTBFZMCA-XGNKDXRYSA-N |
| Mol Weight | 1371.6 g/mol |
| Molecular Formula | C71H102O26 |
| Exact Mass | 1370.665933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FmhiG98kVOv |
|---|---|
| Name | #43;3-(BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H102O26 |
| InChI | InChI=1S/C71H102O26/c1-36-59(94-53-32-46(83-9)60(37(2)87-53)95-54-33-47(84-10)61(38(3)88-54)96-66-58(77)63(85-11)62(39(4)89-66)97-65-57(76)56(75)55(74)48(35-72)92-65)45(82-8)31-52(86-36)91-44-25-26-67(6)43(30-44)24-27-70(80)49(67)34-50(93-51(73)23-22-41-18-14-12-15-19-41)68(7)69(79,28-29-71(68,70)81)40(5)90-64(78)42-20-16-13-17-21-42/h12-24,36-40,44-50,52-63,65-66,72,74-77,79-81H,25-35H2,1-11H3/b23-22+/t36-,37+,38-,39+,40?,44+,45+,46+,47-,48-,49?,50?,52+,53-,54+,55-,56+,57-,58+,59-,60+,61-,62+,63-,65+,66-,67+,68-,69+,70+,71-/m1/s1 |
| InChIKey | YEUOZAYTBFZMCA-XGNKDXRYSA-N |
| Literature Reference Author | R.AQUINO,G.PELUSO,N.DETOMMASI,F.DESIMONE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,59,555(1996) |
| Literature Reference DOI | 10.1021/np960251e |
| Molecular Weight | 1371.575 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRK852 |