(4S,5R,6R)-2,2-dimethyl-5-(3-methylbut-2-enyl)-4-octyl-6-(phenylmethoxymethyl)-1,3-dioxane

Systemtic Name: (4S,5R,6R)-2,2-dimethyl-5-(3-methylbut-2-enyl)-4-octyl-6-(phenylmethoxymethyl)-1,3-dioxane Openeye Name: (4R,5R,6S)-4-(benzyloxymethyl)-2,2-dimethyl-5-(3-methylbut-2-enyl)-6-octyl-1,3-dioxane CAS Name: (4S,5R,6R)-2,2-dimethyl-5-(3-methylbut-2-enyl)-4-octyl-6-(phenylmethoxymethyl)-1,3-dioxane IUPAC Name: (4S,5R,6R)-2,2-dimethyl-5-(3-methylbut-2-enyl)-4-octyl-6-(phenylmethoxymethyl)-1,3-dioxane Traditional Name: (4R,5R,6S)-4-(benzoxymethyl)-2,2-dimethyl-5-(3-methylbut-2-enyl)-6-octyl-1,3-dioxane Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(OC(O1)(C)C)COCC2=CC=CC=C2)CC=C(C)C

Isomeric SMILES

CCCCCCCC[C@H]1[C@H]([C@@H](OC(O1)(C)C)COCC2=CC=CC=C2)CC=C(C)C

InChI

InChI=1S/C27H44O3/c1-6-7-8-9-10-14-17-25-24(19-18-22(2)3)26(30-27(4,5)29-25)21-28-20-23-15-12-11-13-16-23/h11-13,15-16,18,24-26H,6-10,14,17,19-21H2,1-5H3/t24-,25+,26+/m1/s1