| SpectraBase Compound ID | 8bM2FGqc27V |
|---|---|
| InChI | InChI=1S/C65H98O20/c1-35(2)36(3)28-52(67)80-41(8)63(69)26-27-65(71)62(63,10)50(82-51(66)21-20-42-18-16-15-17-19-42)34-49-61(9)24-23-44(29-43(61)22-25-64(49,65)70)81-53-31-46(73-12)58(38(5)77-53)84-55-33-48(75-14)60(40(7)79-55)85-56-32-47(74-13)59(39(6)78-56)83-54-30-45(72-11)57(68)37(4)76-54/h15-22,28,35,37-41,44-50,53-60,68-71H,23-27,29-34H2,1-14H3/b21-20+,36-28+/t37-,38+,39+,40+,41?,44?,45+,46-,47-,48+,49?,50?,53-,54+,55+,56-,57-,58+,59+,60-,61?,62?,63?,64?,65?/m0/s1 |
| InChIKey | BSKMNQYOOMKTBD-FOFCQGGQSA-N |
| Mol Weight | 1199.5 g/mol |
| Molecular Formula | C65H98O20 |
| Exact Mass | 1198.665146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gK2dzDc2jc |
|---|---|
| Name | CYNANFORINE-3-O-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 | C65H98O20 |
| InChI | InChI=1S/C65H98O20/c1-35(2)36(3)28-52(67)80-41(8)63(69)26-27-65(71)62(63,10)50(82-51(66)21-20-42-18-16-15-17-19-42)34-49-61(9)24-23-44(29-43(61)22-25-64(49,65)70)81-53-31-46(73-12)58(38(5)77-53)84-55-33-48(75-14)60(40(7)79-55)85-56-32-47(74-13)59(39(6)78-56)83-54-30-45(72-11)57(68)37(4)76-54/h15-22,28,35,37-41,44-50,53-60,68-71H,23-27,29-34H2,1-14H3/b21-20+,36-28+/t37-,38+,39+,40+,41?,44?,45+,46-,47-,48+,49?,50?,53-,54+,55+,56-,57-,58+,59+,60-,61?,62?,63?,64?,65?/m0/s1 |
| InChIKey | BSKMNQYOOMKTBD-FOFCQGGQSA-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 | 1199.481 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1248 |