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ABIET-8(14)-EN-7-ALPHA,12-ALPHA,13-BETA,18-TETRAOL

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ABIET-8(14)-EN-7-ALPHA,12-ALPHA,13-BETA,18-TETRAOL
SpectraBase Compound ID IjZKSKaIWZQ
InChI InChI=1S/C20H34O4/c1-12(2)20(24)10-13-14(8-17(20)23)19(4)7-5-6-18(3,11-21)16(19)9-15(13)22/h10,12,14-17,21-24H,5-9,11H2,1-4H3/t14-,15+,16-,17-,18-,19+,20+/m0/s1
InChIKey LIZJFLBJMLSYHO-QTCMIBMWSA-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 H6JRK7OHOuo
Name (2S,3S,4aR,4bS,8R,8aR,10R)-2-isopropyl-4b,8-dimethyl-8-methylol-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthrene-2,3,10-triol
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Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-12(2)20(24)10-13-14(8-17(20)23)19(4)7-5-6-18(3,11-21)16(19)9-15(13)22/h10,12,14-17,21-24H,5-9,11H2,1-4H3/t14-,15+,16-,17-,18-,19+,20+/m0/s1
InChIKey LIZJFLBJMLSYHO-QTCMIBMWSA-N
Molecular Weight 338.488 g/mol
SMILES O[C@@]1(C[C@]2([C@@](CCC[C@@]2([C@@]2(C1=C[C@]([C@](C2)(O)[H])(C(C)C)O)[H])C)(CO)C)[H])[H]
SPLASH splash10-002b-0092000000-6bcf5af6940f3e8cbbac
Source of Spectrum I-78-39-8
Synonyms (2S,3S,4aR,4bS,8R,8aR,10R)-8-(hydroxymethyl)-2-isopropyl-4b,8-dimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthrene-2,3,10-triol (2S,3S,4aR,4bS,8R,8aR,10R)-8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthrene-2,3,10-triol
Wiley ID 812671