3-[(2R,3S)-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-propan-2-ylidene-hexyl)-7-oxidanyl-4,5-bis(oxidanylidene)-2,3,4a,8a-tetrahydrochromen-6-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[(2R,3S)-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-propan-2-ylidene-hexyl)-7-oxidanyl-4,5-bis(oxidanylidene)-2,3,4a,8a-tetrahydrochromen-6-yl]-3-phenyl-propanoic acid Openeye Name: 3-[(2R,3S)-7-hydroxy-8-(2-isopropylidene-5-methyl-hexyl)-2,3-dimethyl-8-(3-methylbut-2-enyl)-4,5-dioxo-2,3,4a,8a-tetrahydrochromen-6-yl]-3-phenyl-propanoic acid CAS Name: 3-[(2R,3S)-7-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-propan-2-ylidenehexyl)-4,5-dioxo-2,3,4a,8a-tetrahydro-1-benzopyran-6-yl]-3-phenylpropanoic acid IUPAC Name: 3-[(2R,3S)-7-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-propan-2-ylidenehexyl)-4,5-dioxo-2,3,4a,8a-tetrahydrochromen-6-yl]-3-phenylpropanoic acid Traditional Name: 3-[(2R,3S)-7-hydroxy-8-(2-isoamyl-3-methyl-but-2-enyl)-4,5-diketo-2,3-dimethyl-8-(3-methylbut-2-enyl)-2,3,4a,8a-tetrahydrochromen-6-yl]-3-phenyl-propionic acid Formula: C35H48O6 MolecularWeight: 564.75202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2C(C1=O)C(=O)C(=C(C2(CC=C(C)C)CC(=C(C)C)CCC(C)C)O)C(CC(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1[C@H](OC2C(C1=O)C(=O)C(=C(C2(CC=C(C)C)CC(=C(C)C)CCC(C)C)O)C(CC(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C35H48O6/c1-20(2)14-15-26(22(5)6)19-35(17-16-21(3)4)33(40)29(27(18-28(36)37)25-12-10-9-11-13-25)32(39)30-31(38)23(7)24(8)41-34(30)35/h9-13,16,20,23-24,27,30,34,40H,14-15,17-19H2,1-8H3,(H,36,37)/t23-,24+,27?,30?,34?,35?/m0/s1