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Citrusin C, 4me derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

Citrusin C, 4me derivative
SpectraBase Compound ID Jgmja3i9bsl
InChI InChI=1S/C20H30O7/c1-7-8-13-9-10-14(15(11-13)22-3)26-20-19(25-6)18(24-5)17(23-4)16(27-20)12-21-2/h7,9-11,16-20H,1,8,12H2,2-6H3/t16-,17-,18+,19-,20-/m1/s1
InChIKey FAQXYUYBVWSAHP-OUUBHVDSSA-N
Mol Weight 382.45 g/mol
Molecular Formula C20H30O7
Exact Mass 382.199153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFSexk5YyJJ
Name Citrusin C, 4me derivative
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 382.199153299 u
Formula C20H30O7
InChI InChI=1S/C20H30O7/c1-7-8-13-9-10-14(15(11-13)22-3)26-20-19(25-6)18(24-5)17(23-4)16(27-20)12-21-2/h7,9-11,16-20H,1,8,12H2,2-6H3/t16-,17-,18+,19-,20-/m1/s1
InChIKey FAQXYUYBVWSAHP-OUUBHVDSSA-N
Molecular Weight 382.453 g/mol
SMILES [C@@]1(OC2=C(OC)C=C(CC=C)C=C2)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947491