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ent-3.beta.-Hydroxytrachylobane
SpectraBase Compound ID 1sAQLlrzAMg
InChI InChI=1S/C20H32O/c1-17(2)14-5-8-20-10-13-12(19(13,4)11-20)9-15(20)18(14,3)7-6-16(17)21/h12-16,21H,5-11H2,1-4H3/t12-,13+,14-,15+,16+,18-,19-,20-/m1/s1
InChIKey JHYUVBXKRVZLON-IYZAZOHWSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XGiujTTAu
Name ent-3.beta.-Hydroxytrachylobane
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-17(2)14-5-8-20-10-13-12(19(13,4)11-20)9-15(20)18(14,3)7-6-16(17)21/h12-16,21H,5-11H2,1-4H3/t12-,13+,14-,15+,16+,18-,19-,20-/m1/s1
InChIKey JHYUVBXKRVZLON-IYZAZOHWSA-N
Instrument Name Hewlett-Packard G1800A
Ionization Type EI
Literature Reference DOI 10.1021/np900806j
Molecular Weight 288.475 g/mol
Optical Rotation [a]D20 = -44.1 (c = 0.49, CHCl3)
Reported Formula C20H32O
SMILES O[C@]1(CC[C@@]2([C@@](C1(C)C)(CC[C@@]13[C@]2(C[C@]2([C@](C3)(C)[C@]2(C1)[H])[H])[H])[H])C)[H]
SPLASH splash10-0a4i-9820000000-b7ada1f3e93eeb23479a
Source of Spectrum G4-73-662-1
Wiley ID 1872286