| SpectraBase Compound ID | Lb8h89BHfAa |
|---|---|
| InChI | InChI=1S/C69H112O27/c1-32(2)33(3)23-50(72)91-49-30-48-65(10)19-18-41(24-40(65)17-20-68(48,77)69(78)22-21-67(76,39(9)71)66(49,69)11)89-51-25-42(79-12)59(34(4)84-51)92-52-26-43(80-13)60(35(5)85-52)93-53-27-44(81-14)61(36(6)86-53)94-54-28-45(82-15)62(37(7)87-54)95-55-29-46(83-16)63(38(8)88-55)96-64-58(75)57(74)56(73)47(31-70)90-64/h17,23,32,34-38,41-49,51-64,70,73-78H,18-22,24-31H2,1-16H3/b33-23+/t34-,35+,36-,37+,38-,41+,42+,43-,44-,45-,46-,47+,48-,49-,51+,52-,53+,54-,55+,56+,57-,58+,59-,60+,61-,62+,63-,64-,65+,66-,67-,68+,69-/m1/s1 |
| InChIKey | OVTBGUGBJPKUEG-RLUXYDANSA-N |
| Mol Weight | 1373.6 g/mol |
| Molecular Formula | C69H112O27 |
| Exact Mass | 1372.739098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DL4gMf4LeOP |
|---|---|
| Name | CAUDATIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BET |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H112O27 |
| InChI | InChI=1S/C69H112O27/c1-32(2)33(3)23-50(72)91-49-30-48-65(10)19-18-41(24-40(65)17-20-68(48,77)69(78)22-21-67(76,39(9)71)66(49,69)11)89-51-25-42(79-12)59(34(4)84-51)92-52-26-43(80-13)60(35(5)85-52)93-53-27-44(81-14)61(36(6)86-53)94-54-28-45(82-15)62(37(7)87-54)95-55-29-46(83-16)63(38(8)88-55)96-64-58(75)57(74)56(73)47(31-70)90-64/h17,23,32,34-38,41-49,51-64,70,73-78H,18-22,24-31H2,1-16H3/b33-23+/t34-,35+,36-,37+,38-,41+,42+,43-,44-,45-,46-,47+,48-,49-,51+,52-,53+,54-,55+,56+,57-,58+,59-,60+,61-,62+,63-,64-,65+,66-,67-,68+,69-/m1/s1 |
| InChIKey | OVTBGUGBJPKUEG-RLUXYDANSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,44,917(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00640-1 |
| Molecular Weight | 1373.632 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA338 |