(3aR,5S)-3a-methyl-2-oxidanyl-5-phenylmethoxy-3-propan-2-yl-4,5,6,7-tetrahydroazulen-1-one

Systemtic Name: (3aR,5S)-3a-methyl-2-oxidanyl-5-phenylmethoxy-3-propan-2-yl-4,5,6,7-tetrahydroazulen-1-one Openeye Name: (3aR,5S)-5-benzyloxy-2-hydroxy-3-isopropyl-3a-methyl-4,5,6,7-tetrahydroazulen-1-one CAS Name: (3aR,5S)-2-hydroxy-3a-methyl-5-phenylmethoxy-3-propan-2-yl-4,5,6,7-tetrahydroazulen-1-one IUPAC Name: (3aR,5S)-2-hydroxy-3a-methyl-5-phenylmethoxy-3-propan-2-yl-4,5,6,7-tetrahydroazulen-1-one Traditional Name: (3aR,5S)-5-benzoxy-2-hydroxy-3-isopropyl-3a-methyl-4,5,6,7-tetrahydroazulen-1-one Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=CCCC(CC21C)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)C1=C(C(=O)C2=CCC[C@@H](C[C@@]21C)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H26O3/c1-14(2)18-20(23)19(22)17-11-7-10-16(12-21(17,18)3)24-13-15-8-5-4-6-9-15/h4-6,8-9,11,14,16,23H,7,10,12-13H2,1-3H3/t16-,21-/m0/s1