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(+-)-3.alpha.-Hydroxysecotrinerviten-2.beta.-yl Acetate

View entire compound with spectra: 1 MS (GC)

(+-)-3.alpha.-Hydroxysecotrinerviten-2.beta.-yl Acetate
SpectraBase Compound ID DMDmqlaObZE
InChI InChI=1S/C22H34O3/c1-15-8-6-9-16(2)11-12-19-17(3)14-22(5,13-7-10-15)21(24)20(19)25-18(4)23/h9-10,19-21,24H,3,6-8,11-14H2,1-2,4-5H3/b15-10+,16-9+/t19-,20+,21-,22-/m0/s1
InChIKey QHHVXFHTBSRYMG-JQGMLNSSSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRqpUoiNVZD
Name (+-)-3.alpha.-Hydroxysecotrinerviten-2.beta.-yl Acetate
Alternate Name(s) (1S,12S,13R,14R)-14-hydroxy-1,5,9-trimethyl-16-methylenebicyclo[10.2.2]hexadeca-4,8-dien-13-yl acetate acetic acid[(1S,4E,8E,12S,15R,16R)-16-hydroxy-4,8,12-trimethyl-14-methylene-15-bicyclo[10.2.2]hexadeca-4,8-dienyl]ester [(1S,4E,8E,12S,15R,16R)-16-hydroxy-4,8,12-trimethyl-14-methylene-15-bicyclo[10.2.2]hexadeca-4,8-dienyl]acetate [(1S,4E,8E,12S,15R,16R)-16-hydroxy-4,8,12-trimethyl-14-methylidene-15-bicyclo[10.2.2]hexadeca-4,8-dienyl]acetate [(1S,4E,8E,12S,15R,16R)-4,8,12-trimethyl-14-methylidene-16-oxidanyl-15-bicyclo[10.2.2]hexadeca-4,8-dienyl]ethanoate [(1S,4E,8E,12S,15R,16R)-16-hydroxy-4,8,12-trimethyl-14-methylidene-15-bicyclo[10.2.2]hexadeca-4,8-dienyl] acetate [(1S,4E,8E,12S,15R,16R)-16-hydroxy-4,8,12-trimethyl-14-methylene-15-bicyclo[10.2.2]hexadeca-4,8-dienyl] acetate [(1S,4E,8E,12S,15R,16R)-4,8,12-trimethyl-14-methylidene-16-oxidanyl-15-bicyclo[10.2.2]hexadeca-4,8-dienyl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-15-8-6-9-16(2)11-12-19-17(3)14-22(5,13-7-10-15)21(24)20(19)25-18(4)23/h9-10,19-21,24H,3,6-8,11-14H2,1-2,4-5H3/b15-10+,16-9+/t19-,20+,21-,22-/m0/s1
InChIKey QHHVXFHTBSRYMG-JQGMLNSSSA-N
Molecular Weight 346.511 g/mol
SMILES O[C@@]1([C@]2(CC\C=C/(C)CC\C=C\(CC[C@@](C(C2)=C)([C@]1(OC(=O)C)[H])[H])C)C)[H]
SPLASH splash10-000i-0090000000-4402e9e344f601e63865
Source of Spectrum J-56-4522-2
Wiley ID 1339650