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ABIET-8(14)-EN-7-ALPHA,13-BETA,15,18-TETRAOL

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ABIET-8(14)-EN-7-ALPHA,13-BETA,15,18-TETRAOL
SpectraBase Compound ID 5NTTfyIS4US
InChI InChI=1S/C20H34O4/c1-17(2,23)20(24)9-6-14-13(11-20)15(22)10-16-18(3,12-21)7-5-8-19(14,16)4/h11,14-16,21-24H,5-10,12H2,1-4H3/t14-,15+,16-,18-,19+,20+/m0/s1
InChIKey YDGALDXSZGMRLF-LWFMFQAFSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Q6xFqJbsdL
Name (2R,4aR,4bS,8R,8aR,10R)-2-(1-hydroxy-1-methyl-ethyl)-4b,8-dimethyl-8-methylol-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthrene-2,10-diol
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Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-17(2,23)20(24)9-6-14-13(11-20)15(22)10-16-18(3,12-21)7-5-8-19(14,16)4/h11,14-16,21-24H,5-10,12H2,1-4H3/t14-,15+,16-,18-,19+,20+/m0/s1
InChIKey YDGALDXSZGMRLF-LWFMFQAFSA-N
Molecular Weight 338.488 g/mol
SMILES O[C@@]1(C[C@]2([C@@](CCC[C@@]2([C@@]2(C1=C[C@](CC2)(C(O)(C)C)O)[H])C)(CO)C)[H])[H]
SPLASH splash10-0nmi-1894000000-77c97694a51d769e7473
Source of Spectrum I-78-38-2
Synonyms 4-(Hydroxymethyl)-7,13-dihydroxy-4,10-dimethyl-13-(1'-hydroxy-1'-methylethyl)-octahydrophenanthrene (2R,4aR,4bS,8R,8aR,10R)-8-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4b,8-dimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthrene-2,10-diol (2R,4aR,4bS,8R,8aR,10R)-8-(hydroxymethyl)-2-(1-hydroxy-1-methyl-ethyl)-4b,8-dimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthrene-2,10-diol (2R,4aR,4bS,8R,8aR,10R)-8-(hydroxymethyl)-4b,8-dimethyl-2-(2-oxidanylpropan-2-yl)-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthrene-2,10-diol
Wiley ID 748118