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METHYL-(1-ALPHA,3-ALPHA,3A-ALPHA,4-BETA,10A-ALPHA,10B-ALPHA)-3,4-DIHYDROXY-7-METHOXY-1,5-DIMETHYL-2,3,3A,4,6,9,10,10B-OCTAHYDROCYCLOHEPT-[BC]-ACENA

View entire compound with spectra: 1 NMR, and 1 MS (GC)

METHYL-(1-ALPHA,3-ALPHA,3A-ALPHA,4-BETA,10A-ALPHA,10B-ALPHA)-3,4-DIHYDROXY-7-METHOXY-1,5-DIMETHYL-2,3,3A,4,6,9,10,10B-OCTAHYDROCYCLOHEPT-[BC]-ACENA
SpectraBase Compound ID 1lv3mvuM2v7
InChI InChI=1S/C21H28O5/c1-10-7-13(25-3)9-12-5-6-21(20(24)26-4)11(2)8-14(22)17-18(21)16(12)15(10)19(17)23/h9,11,14,17-19,22-23H,5-8H2,1-4H3
InChIKey ZKAGFTVOSCAPAQ-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Nz2qxp1C41
Name Methyl 3,4-dihydroxy-7-methoxy-1,5-dimethyl-1,2,3,3a,6,9,10,10b-octahydro-cyclohept[bc]acenaphthylene-10a(1H)-carboxylate
Alternate Name(s) Methyl 3,4-dihydroxy-7-methoxy-1,5-dimethyl-2,3,3a,4,6,9,10,10b-octahydrocyclohepta[bc]acenaphthylene-10a(1H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-10-7-13(25-3)9-12-5-6-21(20(24)26-4)11(2)8-14(22)17-18(21)16(12)15(10)19(17)23/h9,11,14,17-19,22-23H,5-8H2,1-4H3
InChIKey ZKAGFTVOSCAPAQ-UHFFFAOYSA-N
Molecular Weight 360.450 g/mol
SMILES OC1C=2C=3C4C1C(CC(C4(CCC3C=C(CC2C)OC)C(=O)OC)C)O
SPLASH splash10-00kf-2798000000-e034c3709f72d1d78e48
Source of Spectrum B-52-1107-0
Wiley ID 746829