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8-alpha-Acetoxy-13,14,15,16,tetranorlabdan-12-oic-acid
SpectraBase Compound ID KCHCo6JCwmO
InChI InChI=1S/C18H30O4/c1-12(19)22-18(5)10-7-13-16(2,3)8-6-9-17(13,4)14(18)11-15(20)21/h13-14H,6-11H2,1-5H3,(H,20,21)/t13?,14-,17+,18-/m1/s1
InChIKey XWPRKOUKBYLKPF-LSXIMSFUSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnsJOZqhiG4
Name 8.alpha.-Acetoxy-13,14,15,16-tetranor-12-labdanoic acid
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Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-12(19)22-18(5)10-7-13-16(2,3)8-6-9-17(13,4)14(18)11-15(20)21/h13-14H,6-11H2,1-5H3,(H,20,21)/t13?,14-,17+,18-/m1/s1
InChIKey XWPRKOUKBYLKPF-LSXIMSFUSA-N
Molecular Weight 310.434 g/mol
SMILES OC(C[C@@]1([C@@]2(C(C(C)(C)CCC2)CC[C@]1(OC(=O)C)C)C)[H])=O
SPLASH splash10-0udi-0190000000-7669f81863e00b7e7b41
Source of Spectrum MZ-34-3638-7
Synonyms 13,14,15,16-Tetra-nor-8.alpha.-acetoxy-12-labdanoic acid 2,6,6,10-Tetramethyl-1-[(hydroxycarbonyl)methyl]-2-acetoxy-perhydonaphthalene [(1R,2R,8aS)-2-(acetyloxy)-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]acetic acid
Wiley ID 1582610