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(10 R)-Methylisoxazoline - adduct from Cholecalciferol
SpectraBase Compound ID HmBUuwhuaME
InChI InChI=1S/C29H47NO2/c1-20(2)8-6-9-21(3)26-13-14-27-23(10-7-16-28(26,27)5)11-12-24-18-25(31)15-17-29(24)19-22(4)30-32-29/h11-12,20-21,25-27,31H,6-10,13-19H2,1-5H3/b23-11+,24-12-/t21?,25-,26+,27?,28+,29+/m0/s1
InChIKey GPQJSTXYHJZCKS-KSSZRODNSA-N
Mol Weight 441.7 g/mol
Molecular Formula C29H47NO2
Exact Mass 441.36068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8EzOb4KObk
Name (10 R)-Methylisoxazoline - adduct from Cholecalciferol
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Formula C29H47NO2
InChI InChI=1S/C29H47NO2/c1-20(2)8-6-9-21(3)26-13-14-27-23(10-7-16-28(26,27)5)11-12-24-18-25(31)15-17-29(24)19-22(4)30-32-29/h11-12,20-21,25-27,31H,6-10,13-19H2,1-5H3/b23-11+,24-12-/t21?,25-,26+,27?,28+,29+/m0/s1
InChIKey GPQJSTXYHJZCKS-KSSZRODNSA-N
Molecular Weight 441.700 g/mol
SMILES O[C@@]1(C\C([C@@]2(ON=C(C2)C)CC1)=C\C=C\1C2[C@@]([C@](CC2)(C(CCCC(C)C)C)[H])(CCC1)C)[H]
SPLASH splash10-05cu-6911200000-0e1a6ab4713c899fb14d
Source of Spectrum U-1993-591-9
Synonyms (5R,6Z,8S)-6-((2E)-2-{(1R,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene)-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-ol
Wiley ID 765000