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3H-Cyclopenta[a]pentalen-3-one, 4-(benzoyloxy)decahydro-5,5-dimethyl-, (3a.alpha.,3b.alpha.,4.alpha.,6a.alpha.,7a.beta.)-(.+-.)-
SpectraBase Compound ID 3Pvvxy7mb26
InChI InChI=1S/C20H24O3/c1-20(2)11-14-10-13-8-9-15(21)16(13)17(14)18(20)23-19(22)12-6-4-3-5-7-12/h3-7,13-14,16-18H,8-11H2,1-2H3/t13-,14+,16+,17-,18-/m0/s1
InChIKey AJVQBASVEKSVMX-QYKUSJBESA-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 2FveiCJVbnT
Name 3H-Cyclopenta[a]pentalen-3-one, 4-(benzoyloxy)decahydro-5,5-dimethyl-, (3a.alpha.,3b.alpha.,4.alpha.,6a.alpha.,7a.beta.)-(.+-.)-
CAS Registry Number 110528-39-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-20(2)11-14-10-13-8-9-15(21)16(13)17(14)18(20)23-19(22)12-6-4-3-5-7-12/h3-7,13-14,16-18H,8-11H2,1-2H3/t13-,14+,16+,17-,18-/m0/s1
InChIKey AJVQBASVEKSVMX-QYKUSJBESA-N
Molecular Weight 312.409 g/mol
SMILES [C@]1([C@]2([C@@](C[C@]3([C@@]2(C(CC3)=O)[H])[H])([H])CC1(C)C)[H])(OC(=O)c1ccccc1)[H]
SPLASH splash10-0a6r-2900000000-a28c2650020f7619443f
Source of Spectrum J-52-4660-46
Synonyms (3.alpha.,3a.alpha.,3b.beta.,6a.beta.,7a.alpha.)-decahydro-3-(benzoyloxy)-2,2-dimethyl-4-oxo-1H-cyclopenta[a]pentalene (3S,3aS,3bS,6aS,7aR)-2,2-dimethyl-4-oxodecahydro-1H-cyclopenta[a]pentalen-3-yl benzoate
Wiley ID 1313692