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Dimethyl (1.alpha.,2.alpha.,3.alpha.,3a.beta.,3b.alpha.,3c.beta.,4.alpha.,5.alpha.,6.alpha.,6a.beta.,6a.beta.)-2,3,3a,4,5,6,6a,6coctahydro-1,2,3,4,5,6-dimethenocyclopenta[3',4']-cyclobuta[1',2':3,4]cyclobuta[1,2]cyclopentene-3b,6b(1H,3cH)-dicarboxylate
SpectraBase Compound ID 78PLtjk6nSF
InChI InChI=1S/C18H18O4/c1-21-15(19)17-11-7-3-4(7)9(3)13(11)18(17,16(20)22-2)14-10-5-6(10)8(5)12(14)17/h3-14H,1-2H3/t3-,4?,5+,6?,7-,8+,9+,10-,11-,12+,13+,14?,17-,18?/m1/s1
InChIKey KNMPSVBLQOIGTC-UNJYGDESSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVjmQHdAfcU
Name Dimethyl (1.alpha.,2.alpha.,3.alpha.,3a.beta.,3b.alpha.,3c.beta.,4.alpha.,5.alpha.,6.alpha.,6a.beta.,6a.beta.)-2,3,3a,4,5,6,6a,6coctahydro-1,2,3,4,5,6-dimethenocyclopenta[3',4']-cyclobuta[1',2':3,4]cyclobuta[1,2]cyclopentene-3b,6b(1H,3cH)-dicarboxylate
CAS Registry Number 113627-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-21-15(19)17-11-7-3-4(7)9(3)13(11)18(17,16(20)22-2)14-10-5-6(10)8(5)12(14)17/h3-14H,1-2H3/t3-,4?,5+,6?,7-,8+,9+,10-,11-,12+,13+,14?,17-,18?/m1/s1
InChIKey KNMPSVBLQOIGTC-UNJYGDESSA-N
Molecular Weight 298.338 g/mol
SMILES C12([C@](C(=O)OC)([C@@]3([C@@]4([H])C5[C@]([C@@]45[H])([C@]23[H])[H])[H])[C@]2([C@]3([H])C4[C@@]([C@]34[H])(C12)[H])[H])C(=O)OC
SPLASH splash10-004i-3910000000-8290cc7febc5a990d09c
Source of Spectrum C-110-3270-11
Synonyms Dimethyl (2R,7S,14S)-octacyclo[6.6.0.0(2,7).0(3,5).0(4,6).0(9,14).0(10,12).0(11,13)]tetradecane-1,8-dicarboxylate
Wiley ID 1301091