(2E,4E,6E,8E,10R,11S)-12-[[(4aR,8S,10S,10aS,10bR)-4a,8,10b-trimethyl-1-oxidanylidene-8,9,10,10a-tetrahydrobenzo[f]chromen-10-yl]oxy]-5,9,11-trimethyl-10-oxidanyl-12-oxidanylidene-dodeca-2,4,6,8-tetraenoic acid

Systemtic Name: (2E,4E,6E,8E,10R,11S)-12-[[(4aR,8S,10S,10aS,10bR)-4a,8,10b-trimethyl-1-oxidanylidene-8,9,10,10a-tetrahydrobenzo[f]chromen-10-yl]oxy]-5,9,11-trimethyl-10-oxidanyl-12-oxidanylidene-dodeca-2,4,6,8-tetraenoic acid Openeye Name: (2E,4E,6E,8E,10R,11S)-12-[[(4aR,8S,10S,10aS,10bR)-4a,8,10b-trimethyl-1-oxo-8,9,10,10a-tetrahydrobenzo[f]chromen-10-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxo-dodeca-2,4,6,8-tetraenoic acid CAS Name: (2E,4E,6E,8E,10R,11S)-12-[[(4aR,8S,10S,10aS,10bR)-4a,8,10b-trimethyl-1-oxo-8,9,10,10a-tetrahydrobenzo[f][1]benzopyran-10-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid IUPAC Name: (2E,4E,6E,8E,10R,11S)-12-[[(4aR,8S,10S,10aS,10bR)-4a,8,10b-trimethyl-1-oxo-8,9,10,10a-tetrahydrobenzo[f]chromen-10-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid Traditional Name: (2E,4E,6E,8E,10R,11S)-12-[[(4aR,8S,10S,10aS,10bR)-1-keto-4a,8,10b-trimethyl-8,9,10,10a-tetrahydrobenzo[f]chromen-10-yl]oxy]-10-hydroxy-12-keto-5,9,11-trimethyl-dodeca-2,4,6,8-tetraenoic acid Formula: C31H38O7 MolecularWeight: 522.62922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2C(=C1)C=CC3(C2(C(=O)C=CO3)C)C)OC(=O)C(C)C(C(=CC=CC(=CC=CC(=O)O)C)C)O

Isomeric SMILES

C[C@H]1C[C@@H]([C@H]2C(=C1)C=C[C@@]3([C@@]2(C(=O)C=CO3)C)C)OC(=O)[C@@H](C)[C@H](/C(=C/C=C/C(=C/C=C/C(=O)O)/C)/C)O

InChI

InChI=1S/C31H38O7/c1-19(10-8-12-26(33)34)9-7-11-21(3)28(35)22(4)29(36)38-24-18-20(2)17-23-13-15-30(5)31(6,27(23)24)25(32)14-16-37-30/h7-17,20,22,24,27-28,35H,18H2,1-6H3,(H,33,34)/b9-7+,12-8+,19-10+,21-11+/t20-,22+,24+,27-,28+,30-,31-/m1/s1