| SpectraBase Compound ID | CkCF6ezmJM6 |
|---|---|
| InChI | InChI=1S/C54H90O19/c1-25(2)20-38(55)65-26(3)33-17-19-54(60)34-15-14-31-21-32(16-18-52(31,8)42(34)44(57)50(59)53(33,54)9)70-39-22-35(61-10)46(28(5)66-39)71-40-23-36(62-11)47(29(6)67-40)72-41-24-37(63-12)48(30(7)68-41)73-51-45(58)49(64-13)43(56)27(4)69-51/h14,25-30,32-37,39-51,56-60H,15-24H2,1-13H3/t26?,27-,28+,29-,30+,32-,33+,34+,35-,36+,37+,39-,40+,41-,42+,43-,44-,45-,46+,47-,48+,49-,50+,51+,52-,53-,54-/m0/s1 |
| InChIKey | HVMAFSGVBPBPCO-YQFXFNBJSA-N |
| Mol Weight | 1043.3 g/mol |
| Molecular Formula | C54H90O19 |
| Exact Mass | 1042.607631 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjCaSIBaONB |
|---|---|
| Name | DREBYSSOGENIN-K(2)-3-O-3-O-METHYL-6-DEOXY-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H90O19 |
| InChI | InChI=1S/C54H90O19/c1-25(2)20-38(55)65-26(3)33-17-19-54(60)34-15-14-31-21-32(16-18-52(31,8)42(34)44(57)50(59)53(33,54)9)70-39-22-35(61-10)46(28(5)66-39)71-40-23-36(62-11)47(29(6)67-40)72-41-24-37(63-12)48(30(7)68-41)73-51-45(58)49(64-13)43(56)27(4)69-51/h14,25-30,32-37,39-51,56-60H,15-24H2,1-13H3/t26?,27-,28+,29-,30+,32-,33+,34+,35-,36+,37+,39-,40+,41-,42+,43-,44-,45-,46+,47-,48+,49-,50+,51+,52-,53-,54-/m0/s1 |
| InChIKey | HVMAFSGVBPBPCO-YQFXFNBJSA-N |
| Literature Reference Author | S.I.YOSHIMURA,H.NARITA,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,31,3971(1983) |
| Literature Reference DOI | 10.1248/cpb.31.3971 |
| Molecular Weight | 1043.297 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1193 |