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ent-1.beta.-acetoxy-12.alpha-hydroxy-13-deuterio-16(13)-12,11(12)-13-diabeo-17-norbeyer-15-ene
SpectraBase Compound ID HbwLHw5jy9g
InChI InChI=1S/C21H32O3/c1-13(22)24-18-7-8-19(2,3)16-6-10-21-9-5-14(12-21)15(23)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/i14D
InChIKey AHZFSWYFQCSTQU-PBHYGBHESA-N
Mol Weight 333.49 g/mol
Molecular Formula C21H312DO3
Exact Mass 333.241422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JzthwGZwoC
Name ent-1.beta.-acetoxy-12.alpha-hydroxy-13-deuterio-16(13)-12,11(12)-13-diabeo-17-norbeyer-15-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31DO3
InChI InChI=1S/C21H32O3/c1-13(22)24-18-7-8-19(2,3)16-6-10-21-9-5-14(12-21)15(23)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/i14D
InChIKey AHZFSWYFQCSTQU-PBHYGBHESA-N
Molecular Weight 333.490 g/mol
SMILES O[C@@]1(C2([2D])C=CC3(C([C@@]4([C@](OC(=O)C)(CCC(C4CC3)(C)C)[H])C)C1)C2)[H]
SPLASH splash10-0ab9-0091000000-42edd80bae5c4d70cfa5
Source of Spectrum F-47-9116-30
Synonyms ent-1.beta.-acetoxy-12..alpha.-hydroxy-13-deuterio-16(13)-12,11(12)-13-diabeo-17-norbeyer-15-ene
Wiley ID 1329859