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1.alpha.,25-Dihydroxy-1.beta.-methylvitamin D3 Tris(methoxymethyl) Ether
SpectraBase Compound ID 21t57P5etdf
InChI InChI=1S/C34H58O6/c1-25(12-10-18-32(3,4)39-23-36-8)30-16-17-31-27(13-11-19-33(30,31)5)14-15-28-20-29(38-22-35-7)21-34(6,26(28)2)40-24-37-9/h14-15,25,29-31H,2,10-13,16-24H2,1,3-9H3/b27-14+,28-15-/t25-,29-,30-,31?,33-,34-/m1/s1
InChIKey BMNVKFJIZAVOMT-QOTNVXSKSA-N
Mol Weight 562.8 g/mol
Molecular Formula C34H58O6
Exact Mass 562.42334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18zu9s8oyWl
Name 1.alpha.,25-Dihydroxy-1.beta.-methylvitamin D3 Tris(methoxymethyl) Ether
Alternate Name(s) (1R,3R,5Z,7E)-1,3,25-tris(methoxymethoxy)-1-methyl-9,10-secocholesta-5,7,10-triene (1R,7aR)-4-[2-[(3R,5R)-3,5-Bis-methoxymethoxy-3-methyl-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-1-((R)-5-methoxymethoxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-indene
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Formula C34H58O6
InChI InChI=1S/C34H58O6/c1-25(12-10-18-32(3,4)39-23-36-8)30-16-17-31-27(13-11-19-33(30,31)5)14-15-28-20-29(38-22-35-7)21-34(6,26(28)2)40-24-37-9/h14-15,25,29-31H,2,10-13,16-24H2,1,3-9H3/b27-14+,28-15-/t25-,29-,30-,31?,33-,34-/m1/s1
InChIKey BMNVKFJIZAVOMT-QOTNVXSKSA-N
Molecular Weight 562.832 g/mol
SMILES [C@]12(C(\C(=C\C=C/3C([C@@](OCOC)(C)C[C@@](C3)(OCOC)[H])=C)CCC1)CC[C@@]2([C@@](CCCC(OCOC)(C)C)(C)[H])[H])C
SPLASH splash10-0570-0928310000-e729706895cd099b6bfa
Source of Spectrum J-60-1833-1
Wiley ID 1406970