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ent-1.beta.-acetoxy-14R-hydroxy-17-nortrachylobane
SpectraBase Compound ID FxlFrolRQdN
InChI InChI=1S/C21H32O3/c1-11(22)24-16-6-7-19(2,3)14-5-8-21-10-13-12(17(13)18(21)23)9-15(21)20(14,16)4/h12-18,23H,5-10H2,1-4H3/t12?,13-,14+,15-,16+,17-,18+,20+,21+/m0/s1
InChIKey LRCKYUFGVZBEHI-KRGBJMJESA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MAZ0j62tmK
Name ent-1.beta.-acetoxy-14R-hydroxy-17-nortrachylobane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-11(22)24-16-6-7-19(2,3)14-5-8-21-10-13-12(17(13)18(21)23)9-15(21)20(14,16)4/h12-18,23H,5-10H2,1-4H3/t12?,13-,14+,15-,16+,17-,18+,20+,21+/m0/s1
InChIKey LRCKYUFGVZBEHI-KRGBJMJESA-N
Molecular Weight 332.484 g/mol
SMILES O[C@]1([C@@]23[C@@]([C@@]4([C@](OC(=O)C)(CCC([C@]4(CC3)[H])(C)C)[H])C)([H])CC3[C@]1([C@]3(C2)[H])[H])[H]
SPLASH splash10-0ab9-0090000000-298eeef6d724df358822
Source of Spectrum F-47-9116-27
Synonyms (4R,8R,9R,10R,15R)-15-hydroxy-5,5,9-trimethylpentacyclo[11.2.1.0(1,10).0(4,9).0(12,14)]hexadec-8-yl acetate
Wiley ID 1329831