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4aH-Dibenzo[a,d]cycloheptene-4a,5-diol, 1,2,3,4,5,10,11,11a-octahydro-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-, [4aR-(4a.alpha.,5.alpha.,11a.beta.)]-

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

4aH-Dibenzo[a,d]cycloheptene-4a,5-diol, 1,2,3,4,5,10,11,11a-octahydro-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-, [4aR-(4a.alpha.,5.alpha.,11a.beta.)]-
SpectraBase Compound ID Kqwa2WKP4mA
InChI InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,23)19(22)16(14)12-17(15)24-5/h11-13,18-19,22-23H,6-10H2,1-5H3/t18-,19-,21+/m0/s1
InChIKey CFVAJDFLSPUGSV-IRFCIJBXSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdWmRDtyHGw
Name 4aH-Dibenzo[a,d]cycloheptene-4a,5-diol, 1,2,3,4,5,10,11,11a-octahydro-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-, [4aR-(4a.alpha.,5.alpha.,11a.beta.)]-
CAS Registry Number 95263-34-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,23)19(22)16(14)12-17(15)24-5/h11-13,18-19,22-23H,6-10H2,1-5H3/t18-,19-,21+/m0/s1
InChIKey CFVAJDFLSPUGSV-IRFCIJBXSA-N
Molecular Weight 332.484 g/mol
SMILES O[C@@]1([C@@]2([C@@](CCc3c1cc(c(c3)C(C)C)OC)(C(C)(C)CCC2)[H])O)[H]
SPLASH splash10-08fr-1559000000-348f8caea32a2e4b889e
Source of Spectrum F-42-533-3
Synonyms (4aR,5S,11aS)-8-isopropyl-7-methoxy-1,1-dimethyl-1,2,3,4,5,10,11,11a-octahydro-4aH-dibenzo[a,d]cycloheptene-4a,5-diol O-methylpisiferdiol
Wiley ID 1329787