| SpectraBase Compound ID | ABmhOldKtB3 |
|---|---|
| InChI | InChI=1S/C70H101NO25/c1-36-60(93-54-30-46(82-9)61(37(2)86-54)94-55-31-47(83-10)62(38(3)87-55)95-56-32-48(84-11)63(39(4)88-56)96-65-59(76)58(75)57(74)49(35-72)91-65)45(81-8)29-53(85-36)90-44-22-23-66(6)43(28-44)21-24-69(79)50(66)33-51(92-52(73)20-19-41-16-13-12-14-17-41)67(7)68(78,25-26-70(67,69)80)40(5)89-64(77)42-18-15-27-71-34-42/h12-21,27,34,36-40,44-51,53-63,65,72,74-76,78-80H,22-26,28-33,35H2,1-11H3/b20-19+/t36-,37-,38-,39+,40?,44+,45+,46-,47+,48-,49-,50-,51-,53+,54-,55+,56-,57-,58+,59-,60-,61+,62-,63+,65+,66+,67-,68-,69+,70-/m1/s1 |
| InChIKey | XLJZGJWDFCSKNT-RXCGCSCZSA-N |
| Mol Weight | 1356.6 g/mol |
| Molecular Formula | C70H101NO25 |
| Exact Mass | 1355.666268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LKg6BdI6h02 |
|---|---|
| Name | GAGAMININE-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H101NO25 |
| InChI | InChI=1S/C70H101NO25/c1-36-60(93-54-30-46(82-9)61(37(2)86-54)94-55-31-47(83-10)62(38(3)87-55)95-56-32-48(84-11)63(39(4)88-56)96-65-59(76)58(75)57(74)49(35-72)91-65)45(81-8)29-53(85-36)90-44-22-23-66(6)43(28-44)21-24-69(79)50(66)33-51(92-52(73)20-19-41-16-13-12-14-17-41)67(7)68(78,25-26-70(67,69)80)40(5)89-64(77)42-18-15-27-71-34-42/h12-21,27,34,36-40,44-51,53-63,65,72,74-76,78-80H,22-26,28-33,35H2,1-11H3/b20-19+/t36-,37-,38-,39+,40?,44+,45+,46-,47+,48-,49-,50-,51-,53+,54-,55+,56-,57-,58+,59-,60-,61+,62-,63+,65+,66+,67-,68-,69+,70-/m1/s1 |
| InChIKey | XLJZGJWDFCSKNT-RXCGCSCZSA-N |
| Literature Reference Author | S.TSUKAMOTO,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,2294(1985) |
| Literature Reference DOI | 10.1248/cpb.33.2294 |
| Molecular Weight | 1356.564 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1251 |