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Cnidioside B, pentakis-methyl ether

View entire compound with spectra: 1 NMR

Cnidioside B, pentakis-methyl ether
SpectraBase Compound ID 6vV007Rzqs1
InChI InChI=1S/C23H32O10/c1-25-12-15-19(27-3)21(29-5)22(30-6)23(32-15)33-18-13(7-8-16(24)26-2)11-14-9-10-31-17(14)20(18)28-4/h9-11,15,19,21-23H,7-8,12H2,1-6H3/t15-,19-,21+,22-,23+/m1/s1
InChIKey CKRXDYZXVFVBHA-IBUWVLCJSA-N
Mol Weight 468.5 g/mol
Molecular Formula C23H32O10
Exact Mass 468.199547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59xzgKMK8OV
Name Cnidioside B, pentakis-methyl ether
Comments Computed using HOSE algorithm
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Exact Mass 468.199547220 u
Formula C23H32O10
InChI InChI=1S/C23H32O10/c1-25-12-15-19(27-3)21(29-5)22(30-6)23(32-15)33-18-13(7-8-16(24)26-2)11-14-9-10-31-17(14)20(18)28-4/h9-11,15,19,21-23H,7-8,12H2,1-6H3/t15-,19-,21+,22-,23+/m1/s1
InChIKey CKRXDYZXVFVBHA-IBUWVLCJSA-N
Molecular Weight 468.499 g/mol
SMILES C=1OC=2C(C1)=CC(=C(C2OC)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])CCC(OC)=O