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PETUNIASTERONE B 22-NICOTINATE
SpectraBase Compound ID Jh0MSsIQJoL
InChI InChI=1S/C36H49NO7/c1-20(29(18-35(6)33(3,4)44-35)43-32(41)22-9-8-14-37-19-22)25-10-11-26-31-27(12-13-34(25,26)5)36(7)23(16-28(31)40)15-24(39)17-30(36)42-21(2)38/h8-9,14-15,19-20,25-31,40H,10-13,16-18H2,1-7H3/t20-,25+,26?,27?,28?,29+,30-,31?,34+,35-,36-/m1/s1
InChIKey AFDRIUQNKOGLSG-CHGKZVGWSA-N
Mol Weight 607.8 g/mol
Molecular Formula C36H49NO7
Exact Mass 607.350903 g/mol
Enantiomer InChIKey AFDRIUQNKOGLSG-QSXUPSEVSA-N
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