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2,8-DIMETHOXY-10B-METHYL-CIS-4B,10B,11,12-TETRAHYDROCHRYSEN-6(5H)-ONE
SpectraBase Compound ID 79s4TKEsWSU
InChI InChI=1S/C21H22O3/c1-21-9-8-13-10-14(23-2)4-6-16(13)19(21)12-20(22)17-11-15(24-3)5-7-18(17)21/h4-7,10-11,19H,8-9,12H2,1-3H3/t19-,21-/m1/s1
InChIKey GJDWYLZEGNWAFD-TZIWHRDSSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDkerV23S4N
Name 6(5H)-Chrysenone, 4b,10b,11,12-tetrahydro-2,8-dimethoxy-10b-methyl-, trans-(.+-.)-
Alternate Name(s) (4bS,10bS)-2,8-dimethoxy-10b-methyl-4b,10b,11,12-tetrahydro-6(5H)-chrysenone (cis+trans)-2,8-dimethoxy-10b-methyl-4b,10b,11,12-tetrahydrochrysen-6(15H)-one 2,8-Dimethoxy-10b-methyl-cis-4b,10b,11,12-tetrahydrochrysen-6(5H)-one
CAS Registry Number 119047-59-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-21-9-8-13-10-14(23-2)4-6-16(13)19(21)12-20(22)17-11-15(24-3)5-7-18(17)21/h4-7,10-11,19H,8-9,12H2,1-3H3/t19-,21-/m1/s1
InChIKey GJDWYLZEGNWAFD-TZIWHRDSSA-N
Molecular Weight 322.404 g/mol
SMILES [C@@]12([C@@](c3ccc(cc3CC2)OC)(CC(c2c1ccc(OC)c2)=O)[H])C
SPLASH splash10-05fr-0409000000-103dedba85e7d5c8594e
Source of Spectrum B-41-742-12
Wiley ID 1322072