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(5E)-10R-Ethylisoxazoline adduct of (7R-3-hydroxyoxirane)

View entire compound with spectra: 1 MS (GC)

(5E)-10R-Ethylisoxazoline adduct of (7R-3-hydroxyoxirane)
SpectraBase Compound ID DMdCAfeV7pK
InChI InChI=1S/C30H49NO3/c1-6-23-19-29(34-31-23)16-13-24(32)17-22(29)18-27-30(33-27)15-8-14-28(5)25(11-12-26(28)30)21(4)10-7-9-20(2)3/h18,20-21,24-27,32H,6-17,19H2,1-5H3/b22-18-/t21?,24-,25-,26?,27-,28-,29+,30-/m1/s1
InChIKey ZXGAZBPALWYTGQ-STFFTZNNSA-N
Mol Weight 471.7 g/mol
Molecular Formula C30H49NO3
Exact Mass 471.371244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sOZuuo7DE
Name (5E)-10R-Ethylisoxazoline adduct of (7R-3-hydroxyoxirane)
Alternate Name(s) (5S,6Z,8R)-6-[(1R,3'R,4R,7aR)-7a-methyl-1-(6-methylheptan-2-yl)-octahydrospiro[indene-4,2'-oxirane]-3'-ylmethylidene]-3-ethyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-ol (5Z)-10R-Ethylisoxazoline adduct of (7R-3-hydroxyoxirane)
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Formula C30H49NO3
InChI InChI=1S/C30H49NO3/c1-6-23-19-29(34-31-23)16-13-24(32)17-22(29)18-27-30(33-27)15-8-14-28(5)25(11-12-26(28)30)21(4)10-7-9-20(2)3/h18,20-21,24-27,32H,6-17,19H2,1-5H3/b22-18-/t21?,24-,25-,26?,27-,28-,29+,30-/m1/s1
InChIKey ZXGAZBPALWYTGQ-STFFTZNNSA-N
Molecular Weight 471.726 g/mol
SMILES O[C@]1(C\C(=C\[C@@]2([C@]3(O2)C2[C@]([C@@](C(CCCC(C)C)C)(CC2)[H])(C)CCC3)[H])[C@]2(ON=C(C2)CC)CC1)[H]
SPLASH splash10-0a4v-9420100000-4b61c7fdf576a6664470
Source of Spectrum AH-125-90-11
Wiley ID 1393155