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SZ-M3 [(7S,8S,R-biar)-6,7,8,9-tetrahydro-1,3,12,13,14-pentamethoxy-7,8-dimethyl-2,7-dibenzo[a,c]cyclooctenediol]
SpectraBase Compound ID KzCNRsBvcHS
InChI InChI=1S/C23H30O7/c1-12-8-13-9-16(27-4)20(28-5)22(30-7)17(13)18-14(11-23(12,2)25)10-15(26-3)19(24)21(18)29-6/h9-10,12,24-25H,8,11H2,1-7H3/t12-,23-/m0/s1
InChIKey NJULGPXGNGYLKI-MYODQAERSA-N
Mol Weight 418.49 g/mol
Molecular Formula C23H30O7
Exact Mass 418.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TgjGmSxXi5
Name SZ-M3 [(7S,8S,R-biar)-6,7,8,9-tetrahydro-1,3,12,13,14-pentamethoxy-7,8-dimethyl-2,7-dibenzo[a,c]cyclooctenediol]
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Formula C23H30O7
InChI InChI=1S/C23H30O7/c1-12-8-13-9-16(27-4)20(28-5)22(30-7)17(13)18-14(11-23(12,2)25)10-15(26-3)19(24)21(18)29-6/h9-10,12,24-25H,8,11H2,1-7H3/t12-,23-/m0/s1
InChIKey NJULGPXGNGYLKI-MYODQAERSA-N
Molecular Weight 418.486 g/mol
SMILES Oc1c(c2-c3c(C[C@@]([C@](Cc2cc1OC)(O)C)(C)[H])cc(c(c3OC)OC)OC)OC
SPLASH splash10-014i-0102900000-be5e551e4ecefc85e36f
Source of Spectrum E1-43-128-6
Wiley ID 1552903