methyl (14S,17S,18S,20S)-20-methyl-14,17,18-tris(oxidanyl)octacosanoate

Systemtic Name: methyl (14S,17S,18S,20S)-20-methyl-14,17,18-tris(oxidanyl)octacosanoate Openeye Name: methyl (14S,17S,18S,20S)-14,17,18-trihydroxy-20-methyl-octacosanoate CAS Name: (14S,17S,18S,20S)-14,17,18-trihydroxy-20-methyloctacosanoic acid methyl ester IUPAC Name: methyl (14S,17S,18S,20S)-14,17,18-trihydroxy-20-methyloctacosanoate Traditional Name: (14S,17S,18S,20S)-14,17,18-trihydroxy-20-methyl-montanic acid methyl ester Formula: C30H60O5 MolecularWeight: 500.7944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)CC(C(CCC(CCCCCCCCCCCCC(=O)OC)O)O)O

Isomeric SMILES

CCCCCCCC[C@H](C)C[C@@H]([C@H](CC[C@H](CCCCCCCCCCCCC(=O)OC)O)O)O

InChI

InChI=1S/C30H60O5/c1-4-5-6-7-14-17-20-26(2)25-29(33)28(32)24-23-27(31)21-18-15-12-10-8-9-11-13-16-19-22-30(34)35-3/h26-29,31-33H,4-25H2,1-3H3/t26-,27-,28-,29-/m0/s1