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3H-Dibenzo[a,d]cycloheptene-3,4[5H]-dione, 7,8,9,9a,10,11-hexahydro-11-hydroxy-2-(1-hydroxy-1-methylethyl)-9,9-d imethyl-, (9aS-cis)-

View entire compound with spectra: 1 MS (GC)

3H-Dibenzo[a,d]cycloheptene-3,4[5H]-dione, 7,8,9,9a,10,11-hexahydro-11-hydroxy-2-(1-hydroxy-1-methylethyl)-9,9-d imethyl-, (9aS-cis)-
SpectraBase Compound ID KkVMKze5S0O
InChI InChI=1S/C20H26O4/c1-19(2)7-5-6-11-8-13-12(16(21)10-14(11)19)9-15(20(3,4)24)18(23)17(13)22/h6,9,14,16,21,24H,5,7-8,10H2,1-4H3/t14-,16-/m1/s1
InChIKey UPGXRAOFSDFRPS-GDBMZVCRSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51LSMnTnJrj
Name 3H-Dibenzo[a,d]cycloheptene-3,4[5H]-dione, 7,8,9,9a,10,11-hexahydro-11-hydroxy-2-(1-hydroxy-1-methylethyl)-9,9-d imethyl-, (9aS-cis)-
CAS Registry Number 65714-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-19(2)7-5-6-11-8-13-12(16(21)10-14(11)19)9-15(20(3,4)24)18(23)17(13)22/h6,9,14,16,21,24H,5,7-8,10H2,1-4H3/t14-,16-/m1/s1
InChIKey UPGXRAOFSDFRPS-GDBMZVCRSA-N
Molecular Weight 330.424 g/mol
SMILES OC(C=1C(C(C2=C([C@@](C[C@@]3(C(C2)=CCCC3(C)C)[H])(O)[H])C1)=O)=O)(C)C
SPLASH splash10-0006-9040000000-fd380ea170a820af24ec
Source of Spectrum H-60-2799-0
Synonyms (10R,11aS)-10-hydroxy-8-(1-hydroxy-1-methylethyl)-1,1-dimethyl-2,3,5,10,11,11a-hexahydro-1H-dibenzo[a,d]cycloheptene-6,7-dione (9aS,11R)-11-hydroxy-2-(1-hydroxy-1-methylethyl)-9,9-dimethyl-3,4,7,8,9,9a,10,11-octahydro-5H-dibenzo(a,d)cycloheptene-3,4-dione
Wiley ID 1328048