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Methyl ester of [1R-(1.alpha.,3.beta.,3a.beta.,3b.alpha.,6.beta.,6a.alpha.,6b.beta.)]-3-hydroxy-decahydro-3a,6-dimethyl-cyclobuta[1,2:3,4]dicyclopentane-1-carboxylic acid
SpectraBase Compound ID ADeLGRW71d8
InChI InChI=1S/C14H22O3/c1-7-4-5-9-11(7)12-8(13(16)17-3)6-10(15)14(9,12)2/h7-12,15H,4-6H2,1-3H3/t7-,8-,9+,10-,11-,12+,14+/m1/s1
InChIKey PKTAYOVFJBDTKS-FXYHDGJGSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dmp99hC25kT
Name Methyl ester of [1R-(1.alpha.,3.beta.,3a.beta.,3b.alpha.,6.beta.,6a.alpha.,6b.beta.)]-3-hydroxy-decahydro-3a,6-dimethyl-cyclobuta[1,2:3,4]dicyclopentane-1-carboxylic acid
Alternate Name(s) Methyl (1R,3R,3aR,3bS,6R,6aR,6bR)-3-hydroxy-3a,6-dimethyldecahydrocyclopenta[3,4]cyclobuta[1,2-a]cyclopentene-1-carboxylate
CAS Registry Number 77136-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-7-4-5-9-11(7)12-8(13(16)17-3)6-10(15)14(9,12)2/h7-12,15H,4-6H2,1-3H3/t7-,8-,9+,10-,11-,12+,14+/m1/s1
InChIKey PKTAYOVFJBDTKS-FXYHDGJGSA-N
Molecular Weight 238.327 g/mol
SMILES O[C@]1([C@]2([C@]([C@](C(=O)OC)(C1)[H])([H])[C@]1([C@@]2(CC[C@]1(C)[H])[H])[H])C)[H]
SPLASH splash10-0a59-9600000000-277fb3201c4eb2e2b8d6
Source of Spectrum J-46-2240-0
Wiley ID 1240747