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(1.alpha.,2.alpha.,3.alpha.,6.alpha.,7.alpha.,8.alpha.,9.beta.,14.beta.)-4,5-Benzo-3'-methoxypentacyclo[6.6.1.1(3,6).0(2,7).0(9,14)]hexadec-4-ene-10,13-dione

View entire compound with spectra: 1 MS (GC)

(1.alpha.,2.alpha.,3.alpha.,6.alpha.,7.alpha.,8.alpha.,9.beta.,14.beta.)-4,5-Benzo-3'-methoxypentacyclo[6.6.1.1(3,6).0(2,7).0(9,14)]hexadec-4-ene-10,13-dione
SpectraBase Compound ID 9TZW5PU8oEM
InChI InChI=1S/C21H22O3/c1-24-16-4-2-3-9-10-7-11(17(9)16)19-13-8-12(18(10)19)20-14(22)5-6-15(23)21(13)20/h2-4,10-13,18-21H,5-8H2,1H3/t10-,11+,12+,13-,18+,19+,20+,21-/m1/s1
InChIKey JYFROTQWKWYSTC-VAMZVKHKSA-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 7H7zZhDczvz
Name (1.alpha.,2.alpha.,3.alpha.,6.alpha.,7.alpha.,8.alpha.,9.beta.,14.beta.)-4,5-Benzo-3'-methoxypentacyclo[6.6.1.1(3,6).0(2,7).0(9,14)]hexadec-4-ene-10,13-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-24-16-4-2-3-9-10-7-11(17(9)16)19-13-8-12(18(10)19)20-14(22)5-6-15(23)21(13)20/h2-4,10-13,18-21H,5-8H2,1H3/t10-,11+,12+,13-,18+,19+,20+,21-/m1/s1
InChIKey JYFROTQWKWYSTC-VAMZVKHKSA-N
Molecular Weight 322.404 g/mol
SMILES [C@@]12([C@]([C@]3(C[C@@]2([C@@]2([C@]3(C(=O)CCC2=O)[H])[H])[H])[H])([C@]2(C[C@@]1(c1c2c(OC)ccc1)[H])[H])[H])[H]
SPLASH splash10-00dj-0904000000-83097fe898b332d6f7c1
Source of Spectrum QA-41-14-40
Wiley ID 861766