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SZ-M1 [(7S,8S,R-biar)-6,7,8,9-tetrahydro-1,2,3,13,14-pentamethoxy-7,8-dimethyl-7,12-dibenzo[a,c]cyclooctenediol]
SpectraBase Compound ID 6BKOnDfD5e9
InChI InChI=1S/C23H30O7/c1-12-8-13-9-15(24)19(27-4)21(29-6)17(13)18-14(11-23(12,2)25)10-16(26-3)20(28-5)22(18)30-7/h9-10,12,24-25H,8,11H2,1-7H3/t12-,23-/m0/s1
InChIKey LZUYISWUVHJQPR-MYODQAERSA-N
Mol Weight 418.49 g/mol
Molecular Formula C23H30O7
Exact Mass 418.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ez2NytKOuJy
Name sz-M1 [(7S,8S,R-Biar)-6,7,8,9-tetrahydro-1,2,3,13,14-pentamethoxy-7,8-dimethyl-7,12-dibenzo[A,C]cyclooctenediol]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.199153299 u
Formula C23H30O7
InChI InChI=1S/C23H30O7/c1-12-8-13-9-15(24)19(27-4)21(29-6)17(13)18-14(11-23(12,2)25)10-16(26-3)20(28-5)22(18)30-7/h9-10,12,24-25H,8,11H2,1-7H3/t12-,23-/m0/s1
InChIKey LZUYISWUVHJQPR-MYODQAERSA-N
Molecular Weight 418.486 g/mol
SMILES C=12C3=C(C(OC)=C(C=C3C[C@@]([C@](CC1C=C(O)C(=C2OC)OC)(C)[H])(O)C)OC)OC