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Methyl 2.alpha.-hydroxy-3.beta.,4.beta.-epoxyneo-clerodan-15-olate
SpectraBase Compound ID F6RUs1Ntvbx
InChI InChI=1S/C21H36O4/c1-13(11-17(23)24-6)7-9-19(3)14(2)8-10-20(4)16(19)12-15(22)18-21(20,5)25-18/h13-16,18,22H,7-12H2,1-6H3/t13?,14-,15-,16?,18+,19+,20-,21+/m1/s1
InChIKey AZAYGOAHPCDLRG-TWVOVFKUSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkEc1uldC31
Name Methyl 2.alpha.-hydroxy-3.beta.,4.beta.-epoxyneo-clerodan-15-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-13(11-17(23)24-6)7-9-19(3)14(2)8-10-20(4)16(19)12-15(22)18-21(20,5)25-18/h13-16,18,22H,7-12H2,1-6H3/t13?,14-,15-,16?,18+,19+,20-,21+/m1/s1
InChIKey AZAYGOAHPCDLRG-TWVOVFKUSA-N
Molecular Weight 352.515 g/mol
SMILES O[C@]1([C@]2([C@](O2)([C@]2(C([C@](CCC(CC(=O)OC)C)(C)[C@@](CC2)(C)[H])C1)C)C)[H])[H]
SPLASH splash10-0ab9-9680000000-3bbd02c14fd8bb62b874
Source of Spectrum F-50-10798-13
Synonyms Methyl 5-[(1aS,2R,4S,5R,7aR,7bR)-2-hydroxy-4,5,7a,7b-tetramethyldecahydronaphtho[1,2-b]oxiren-4-yl]-3-methylpentanoate
Wiley ID 789406