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(Z)-3-Methyl-5-((4aR,8aS)-2,5,5,8a-tetramethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl)-pent-2-enoic acid
SpectraBase Compound ID A2DzNTKubDT
InChI InChI=1S/C20H30O3/c1-13(11-18(22)23)7-8-15-14(2)16(21)12-17-19(3,4)9-6-10-20(15,17)5/h11,17H,6-10,12H2,1-5H3,(H,22,23)/b13-11-/t17-,20-/m1/s1
InChIKey MSLXIYYWGHOJNU-ZMUOPOAGSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhGbp0xefJo
Name (Z)-3-Methyl-5-((4aR,8aS)-2,5,5,8a-tetramethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl)-pent-2-enoic acid
Alternate Name(s) Isorhinocerotinoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13(11-18(22)23)7-8-15-14(2)16(21)12-17-19(3,4)9-6-10-20(15,17)5/h11,17H,6-10,12H2,1-5H3,(H,22,23)/b13-11-/t17-,20-/m1/s1
InChIKey MSLXIYYWGHOJNU-ZMUOPOAGSA-N
Molecular Weight 318.457 g/mol
SMILES OC(\C=C/(CCC=1[C@@]2([C@](C(CCC2)(C)C)([H])CC(C1C)=O)C)C)=O
SPLASH splash10-052r-0892000000-02a0b64b9417d2f75890
Source of Spectrum F-59-172-5
Wiley ID 1676697