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3-Hydroxypremutilin
SpectraBase Compound ID FKFkgICreF9
InChI InChI=1S/C20H34O2/c1-6-18(4)11-14(3)20-9-7-13(2)19(5,16(22)12-18)17(20)15(21)8-10-20/h6,13-17,21-22H,1,7-12H2,2-5H3/t13?,14-,15+,16+,17-,18-,19-,20-/m0/s1
InChIKey KTTGGFCIYYNMAF-JRWZKZIKSA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ds5cTgNqlf
Name 3-Hydroxypremutilin
Alternate Name(s) (1R,3aS,4S,6S,8R,9R,9aR)-4,6,9,10-tetramethyl-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulene-1,8-diol
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Formula C20H34O2
InChI InChI=1S/C20H34O2/c1-6-18(4)11-14(3)20-9-7-13(2)19(5,16(22)12-18)17(20)15(21)8-10-20/h6,13-17,21-22H,1,7-12H2,2-5H3/t13?,14-,15+,16+,17-,18-,19-,20-/m0/s1
InChIKey KTTGGFCIYYNMAF-JRWZKZIKSA-N
Literature Reference DOI 10.1002/cbic.201700434
Molecular Weight 306.490 g/mol
SMILES O[C@]1([C@]2([C@]3(C(CC[C@@]2([C@](C[C@@](C[C@]3(O)[H])(C=C)C)(C)[H])CC1)C)C)[H])[H]
SPLASH splash10-0002-3900000000-3107a931a6705c4a28df
Source of Spectrum CBC-18-SM6-4
Wiley ID 1819368