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(1S,2R,4aR,7S,8aR)-7-(Acetyloxy)-octahydro-.beta.,1,2,4a,5-pentamethylnaphthalene-1-pentanoic Acid
SpectraBase Compound ID 94Yr8OI9PIs
InChI InChI=1S/C22H36O4/c1-14(11-20(24)25)7-9-21(5)15(2)8-10-22(6)16(3)12-18(13-19(21)22)26-17(4)23/h12,14-15,18-19H,7-11,13H2,1-6H3,(H,24,25)/t14?,15-,18-,19-,21+,22+/m1/s1
InChIKey FPDCHHKVQLVTGK-DWLNCZJVSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zOLI31kdUf
Name (1S,2R,4aR,7S,8aR)-7-(Acetyloxy)-octahydro-.beta.,1,2,4a,5-pentamethylnaphthalene-1-pentanoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-14(11-20(24)25)7-9-21(5)15(2)8-10-22(6)16(3)12-18(13-19(21)22)26-17(4)23/h12,14-15,18-19H,7-11,13H2,1-6H3,(H,24,25)/t14?,15-,18-,19-,21+,22+/m1/s1
InChIKey FPDCHHKVQLVTGK-DWLNCZJVSA-N
Molecular Weight 364.526 g/mol
SMILES OC(CC(CC[C@@]1([C@@]2([C@](C(=C[C@@](OC(=O)C)(C2)[H])C)(CC[C@]1(C)[H])C)[H])C)C)=O
SPLASH splash10-0c0s-7951000000-450c0f3b8d2824b585f6
Source of Spectrum H-86-3191-4
Synonyms 2.beta.-(acetyloxy)-clerod-3-en-15-oic acid 5-[(1S,2R,4aR,7S,8aR)-7-(acetyloxy)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoic acid 7-(Acetyloxy)-octahydro-.beta.,1,2,4,5-pentamethylnaphthalene-1-pentanoic Acid
Wiley ID 1525669