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(3.alpha.,3a.alpha.,3b.beta.,4.beta.,6a.beta.,.7a.alpha.)-decahydro-3b,4-oxirene-3-benzoyloxy-2,2-dimethyl-1H-cyclopenta[a]pentalene
SpectraBase Compound ID 706HOuryPFm
InChI InChI=1S/C20H24O3/c1-19(2)11-13-10-14-8-9-15-20(14,23-15)16(13)17(19)22-18(21)12-6-4-3-5-7-12/h3-7,13-17H,8-11H2,1-2H3/t13-,14+,15-,16-,17+,20-/m0/s1
InChIKey JWQIIYZRAGIJJH-ZYABLZSBSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGYuv3v7Knq
Name (3.alpha.,3a.alpha.,3b.beta.,4.beta.,6a.beta.,.7a.alpha.)-decahydro-3b,4-oxirene-3-benzoyloxy-2,2-dimethyl-1H-cyclopenta[a]pentalene
Alternate Name(s) (3.alpha.,3a.alpha.,3b.alpha.,4.alpha.,6a.beta.,7a.alpha.)-decahydro-3-(benzoyloxy)-3b,4-epoxy-2,2-dimethyl-1H-cyclopenta[a]pentalene (1aS,3aR,4aS,7R,7aS,7bR)-6,6-dimethyldecahydrocyclopenta[5,6]pentaleno[1,6a-b]oxiren-7-yl benzoate
CAS Registry Number 110611-16-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-19(2)11-13-10-14-8-9-15-20(14,23-15)16(13)17(19)22-18(21)12-6-4-3-5-7-12/h3-7,13-17H,8-11H2,1-2H3/t13-,14+,15-,16-,17+,20-/m0/s1
InChIKey JWQIIYZRAGIJJH-ZYABLZSBSA-N
Molecular Weight 312.409 g/mol
SMILES [C@@]123O[C@]3(CC[C@@]1(C[C@@]1([C@]2([C@@](OC(=O)c2ccccc2)(C(C)(C)C1)[H])[H])[H])[H])[H]
SPLASH splash10-056u-1900000000-e554f663790a7fdaf612
Source of Spectrum J-52-4659-38
Wiley ID 1313691