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(12S)-14-Acetoxy-8,12-epoxy-15-nor-labdane
SpectraBase Compound ID 6PsoxAkhMEF
InChI InChI=1S/C21H36O3/c1-14(13-23-15(2)22)16-12-18-20(5)10-7-9-19(3,4)17(20)8-11-21(18,6)24-16/h14,16-18H,7-13H2,1-6H3/t14-,16+,17+,18-,20+,21-/m1/s1
InChIKey NFUWPPMJNACURC-PXMXHLMUSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeRurSoXDeC
Name (12S)-14-Acetoxy-8,12-epoxy-15-nor-labdane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-14(13-23-15(2)22)16-12-18-20(5)10-7-9-19(3,4)17(20)8-11-21(18,6)24-16/h14,16-18H,7-13H2,1-6H3/t14-,16+,17+,18-,20+,21-/m1/s1
InChIKey NFUWPPMJNACURC-PXMXHLMUSA-N
Molecular Weight 336.516 g/mol
SMILES [C@]12([C@@]3([C@@](O[C@@](C3)([C@@](COC(=O)C)(C)[H])[H])(C)CC[C@]1(C(C)(C)CCC2)[H])[H])C
SPLASH splash10-0006-9711000000-3f57cc9bc1df56b27591
Source of Spectrum Y4-83-43-21
Synonyms (2R)-2-[(2S,3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan-2-yl]propyl acetate
Wiley ID 1549907