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Glucoindol A, 5me derivative

View entire compound with spectra: 1 NMR

Glucoindol A, 5me derivative
SpectraBase Compound ID 5gRMpS1yqMQ
InChI InChI=1S/C21H29NO7/c1-24-12-16-18(26-3)19(27-4)20(28-5)21(29-16)22-11-13(10-17(23)25-2)14-8-6-7-9-15(14)22/h6-9,11,16,18-21H,10,12H2,1-5H3/t16-,18+,19+,20-,21-/m1/s1
InChIKey BMROLWNNWNBCNL-OBJCFNGXSA-N
Mol Weight 407.46 g/mol
Molecular Formula C21H29NO7
Exact Mass 407.194402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7khJX08ZXpi
Name Glucoindol A, 5me derivative
Comments Computed using HOSE algorithm
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Exact Mass 407.194402271 u
Formula C21H29NO7
InChI InChI=1S/C21H29NO7/c1-24-12-16-18(26-3)19(27-4)20(28-5)21(29-16)22-11-13(10-17(23)25-2)14-8-6-7-9-15(14)22/h6-9,11,16,18-21H,10,12H2,1-5H3/t16-,18+,19+,20-,21-/m1/s1
InChIKey BMROLWNNWNBCNL-OBJCFNGXSA-N
Molecular Weight 407.463 g/mol
SMILES C(CC1=CN(C2=C1C=CC=C2)[C@]1([C@@]([C@]([C@]([C@](O1)(COC)[H])(OC)[H])(OC)[H])(OC)[H])[H])(=O)OC