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(3R*,3aS*,7aR*)-methyl 2,3,3a,4,5,7a-hexahydro-1,5-dihydroxy-3,3a-dimethylindene-7a-carboxylate
SpectraBase Compound ID D94mSN4BSdx
InChI InChI=1S/C13H20O4/c1-8-6-10(15)13(11(16)17-3)5-4-9(14)7-12(8,13)2/h4-5,8-10,14-15H,6-7H2,1-3H3/t8-,9?,10?,12+,13-/m1/s1
InChIKey BGQBDNNLGTZYOP-JYILQVSKSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35SSGggOWBr
Name (3R*,3aS*,7aR*)-methyl 2,3,3a,4,5,7a-hexahydro-1,5-dihydroxy-3,3a-dimethylindene-7a-carboxylate
Alternate Name(s) Methyl (1R,3aR,7aS)-3,6-dihydroxy-1,7a-dimethyl-1,2,3,6,7,7a-hexahydro-3aH-indene-3a-carboxylate
CAS Registry Number 118198-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-8-6-10(15)13(11(16)17-3)5-4-9(14)7-12(8,13)2/h4-5,8-10,14-15H,6-7H2,1-3H3/t8-,9?,10?,12+,13-/m1/s1
InChIKey BGQBDNNLGTZYOP-JYILQVSKSA-N
Molecular Weight 240.299 g/mol
SMILES OC1C[C@]([C@]2([C@@]1(C=CC(C2)O)C(=O)OC)C)(C)[H]
SPLASH splash10-0pb9-5910000000-3569de52b77af8dad5e8
Source of Spectrum KC-1988-477-26
Wiley ID 1242872