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ent-1.beta.-acetoxy-16-.alpha.-hydroxy-17-noratis-13-ene
SpectraBase Compound ID 4vZDKTCMlmD
InChI InChI=1S/C21H32O3/c1-13(22)24-18-7-8-19(2,3)16-6-10-21-9-5-14(15(23)12-21)11-17(21)20(16,18)4/h5,9,14-18,23H,6-8,10-12H2,1-4H3/t14-,15+,16+,17-,18+,20-,21+/m0/s1
InChIKey FXYVDTSZWATUCF-HNDBUWPCSA-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 68LbbRB2BZw
Name ent-1.beta.-acetoxy-16-.alpha.-hydroxy-17-noratis-13-ene
Alternate Name(s) (1R,4R,8R,9S,10R,12R,16R)-16-hydroxy-5,5,9-trimethyltetracyclo[10.2.2.0(1,10).0(4,9)]hexadec-13-en-8-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13(22)24-18-7-8-19(2,3)16-6-10-21-9-5-14(15(23)12-21)11-17(21)20(16,18)4/h5,9,14-18,23H,6-8,10-12H2,1-4H3/t14-,15+,16+,17-,18+,20-,21+/m0/s1
InChIKey FXYVDTSZWATUCF-HNDBUWPCSA-N
Molecular Weight 332.484 g/mol
SMILES O[C@]1([C@@]2(C[C@]3([C@]4([C@](OC(=O)C)(CCC([C@]4(CC[C@]3(C=C2)C1)[H])(C)C)[H])C)[H])[H])[H]
SPLASH splash10-0a4i-0090000000-a4c53af7e4b9b9e1f80f
Source of Spectrum F-47-9116-25
Wiley ID 1329829