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(1S,4aR,4bS)-1-(hydroxymethyl)-4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
SpectraBase Compound ID JtXPBhQVfyn
InChI InChI=1S/C20H30O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h6,11,13,16-17,21H,4-5,7-10,12H2,1-3H3,(H,22,23)/t16-,17?,19-,20-/m1/s1
InChIKey RILZYIMYDQPCGC-KGYQZRGHSA-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 Dn3PFNuNHA2
Name (1S,4aR,4bS)-1-(hydroxymethyl)-4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
Alternate Name(s) (1S,4aR,4bS)-1-(hydroxymethyl)-7-isopropyl-4a-methyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid (1S,4aR,4bS)-7-isopropyl-4a-methyl-1-methylol-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
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Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h6,11,13,16-17,21H,4-5,7-10,12H2,1-3H3,(H,22,23)/t16-,17?,19-,20-/m1/s1
InChIKey RILZYIMYDQPCGC-KGYQZRGHSA-N
Molecular Weight 318.457 g/mol
SMILES OC([C@]1(CO)C2[C@]([C@@]3(CCC(=CC3=CC2)C(C)C)[H])(C)CCC1)=O
SPLASH splash10-004i-0091000000-c7c29f596118769b12c2
Source of Spectrum Va-0-0-0
Wiley ID 740059