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(10 S)-Ethylisoxazoline - adduct from Cholecalciferol
SpectraBase Compound ID 2XCqdLApaF5
InChI InChI=1S/C30H49NO2/c1-6-25-20-30(33-31-25)18-16-26(32)19-24(30)13-12-23-11-8-17-29(5)27(14-15-28(23)29)22(4)10-7-9-21(2)3/h12-13,21-22,26-28,32H,6-11,14-20H2,1-5H3/b23-12+,24-13-/t22?,26-,27+,28?,29+,30-/m0/s1
InChIKey WNSBYBYLHPMIRR-KIRAVVNZSA-N
Mol Weight 455.7 g/mol
Molecular Formula C30H49NO2
Exact Mass 455.37633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EywRJiFgmkT
Name (10 S)-Ethylisoxazoline - adduct from Cholecalciferol
Alternate Name(s) (5S,6Z,8S)-6-((2E)-2-{(1R,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene)-3-ethyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-ol
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Formula C30H49NO2
InChI InChI=1S/C30H49NO2/c1-6-25-20-30(33-31-25)18-16-26(32)19-24(30)13-12-23-11-8-17-29(5)27(14-15-28(23)29)22(4)10-7-9-21(2)3/h12-13,21-22,26-28,32H,6-11,14-20H2,1-5H3/b23-12+,24-13-/t22?,26-,27+,28?,29+,30-/m0/s1
InChIKey WNSBYBYLHPMIRR-KIRAVVNZSA-N
Molecular Weight 455.727 g/mol
SMILES O[C@@]1(C\C([C@]2(ON=C(C2)CC)CC1)=C\C=C\1C2[C@@]([C@](CC2)(C(CCCC(C)C)C)[H])(CCC1)C)[H]
SPLASH splash10-052e-9100000000-298a2ee933a56cbf7a60
Source of Spectrum U-1993-591-10
Wiley ID 764997