[(1S,3R,7S,8S)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; 2,2-dimethylpropan-1-amine

Systemtic Name: [(1S,3R,7S,8S)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; 2,2-dimethylpropan-1-amine Openeye Name: 2,2-dimethylpropan-1-amine; [(1S,3R,7S,8S)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate CAS Name: 2,2-dimethyl-1-propanamine; (2S)-2-methylbutanoic acid [(1S,3R,7S,8S)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: 2,2-dimethylpropan-1-amine; [(1S,3R,7S,8S)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate Traditional Name: (2S)-2-methylbutyric acid [(1S,3R,7S,8S)-8-[2-[(2R,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester; neopentylamine Formula: C29H49NO5 MolecularWeight: 491.70306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C.CC(C)(C)CN

Isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2C1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C.CC(C)(C)CN

InChI

InChI=1S/C24H36O5.C5H13N/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19;1-5(2,3)4-6/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3;4,6H2,1-3H3/t14-,15-,16-,18+,19+,20-,21-,23?;/m0./s1