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1,4;6,13;8,11-Trimethano-1,2,3,4,5,6,8,11,13,14-decahydropentaphene, 7-12-dimethoxy-2,3-dimethylene-
SpectraBase Compound ID BDX62UlJsU1
InChI InChI=1S/C29H30O2/c1-12-13(2)17-8-16(12)18-9-20-21(10-19(17)18)23-11-22(20)26-27(23)29(31-4)25-15-6-5-14(7-15)24(25)28(26)30-3/h5-6,14-17,20-23H,1-2,7-11H2,3-4H3/t14?,15?,16?,17?,20?,21?,22-,23+
InChIKey CZXKZFONLXWUEW-LFQILTNKSA-N
Mol Weight 410.56 g/mol
Molecular Formula C29H30O2
Exact Mass 410.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Nsolb5m8q9
Name 1,4;6,13;8,11-Trimethano-1,2,3,4,5,6,8,11,13,14-decahydropentaphene, 7-12-dimethoxy-2,3-dimethylene-
Alternate Name(s) 1,4;6,13;8,11-Trimethano-1,2,3,4,5,5a,6,8,11,13,13a,14-dodecahydropentacene, 7,12-dimethoxy-2,3-dimethylene- 3,10-dimethoxy-17,18-dimethyleneoctacyclo[10.10.1.1(5,8).1(16,19).0(2,11).0(4,9).0(13,22).0(15,20)]pentacosa-2(11),3,6,9,15(20)-pentaene
CAS Registry Number 154875-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30O2
InChI InChI=1S/C29H30O2/c1-12-13(2)17-8-16(12)18-9-20-21(10-19(17)18)23-11-22(20)26-27(23)29(31-4)25-15-6-5-14(7-15)24(25)28(26)30-3/h5-6,14-17,20-23H,1-2,7-11H2,3-4H3/t14?,15?,16?,17?,20?,21?,22-,23+
InChIKey CZXKZFONLXWUEW-LFQILTNKSA-N
Molecular Weight 410.557 g/mol
SMILES C=1C2c3c(C(C1)C2)c(c1c(c3OC)[C@@]2(C3C([C@]1(C2)[H])CC1=C(C3)C2C(C(C1C2)=C)=C)[H])OC
SPLASH splash10-0006-1390100000-aca9015bcc4df314be09
Wiley ID 1475080