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(20R)-1.alpha.,25-Dihydroxy-2-methylene-19-norvitamin D3
SpectraBase Compound ID G2fY00o7pYP
InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22?,23?,24-,25-,27-/m1/s1
InChIKey UHMPCVGLSKFXHR-QQKAXEELSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1i95Np7fZA
Name (20R)-1.alpha.,25-Dihydroxy-2-methylene-19-norvitamin D3
Alternate Name(s) (1R,3R)-5-[(2E)-2-[(7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylenecyclohexane-1,3-diol (1R,3R)-5-[(2E)-2-[(7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol (1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
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Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22?,23?,24-,25-,27-/m1/s1
InChIKey UHMPCVGLSKFXHR-QQKAXEELSA-N
Molecular Weight 416.646 g/mol
SMILES O[C@]1(C([C@@](CC(C1)=C\C=C\1C2[C@@](C(CC2)[C@@](CCCC(O)(C)C)(C)[H])(CCC1)C)(O)[H])=C)[H]
SPLASH splash10-02t9-0009400000-74995b8216c951cb76cf
Source of Spectrum F2-41-4671-6
Wiley ID 1599900