(3R,7S,7aR)-3-tert-butyl-7-(6,6-dimethyl-7-oxidanyl-5-oxidanylidene-7-phenyl-hept-1-ynyl)-6,6-dimethyl-7-oxidanyl-5-oxidanylidene-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylic acid

Systemtic Name: (3R,7S,7aR)-3-tert-butyl-7-(6,6-dimethyl-7-oxidanyl-5-oxidanylidene-7-phenyl-hept-1-ynyl)-6,6-dimethyl-7-oxidanyl-5-oxidanylidene-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylic acid Openeye Name: (3R,7S,7aR)-3-tert-butyl-7-hydroxy-7-(7-hydroxy-6,6-dimethyl-5-oxo-7-phenyl-hept-1-ynyl)-6,6-dimethyl-5-oxo-1,3-dihydropyrrolo[1,2-c]oxazole-7a-carboxylic acid CAS Name: (3R,7S,7aR)-3-tert-butyl-7-hydroxy-7-(7-hydroxy-6,6-dimethyl-5-oxo-7-phenylhept-1-ynyl)-6,6-dimethyl-5-oxo-1,3-dihydropyrrolo[1,2-c]oxazole-7a-carboxylic acid IUPAC Name: (3R,7S,7aR)-3-tert-butyl-7-hydroxy-7-(7-hydroxy-6,6-dimethyl-5-oxo-7-phenylhept-1-ynyl)-6,6-dimethyl-5-oxo-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylic acid Traditional Name: (3R,7S,7aR)-3-tert-butyl-7-hydroxy-7-(7-hydroxy-5-keto-6,6-dimethyl-7-phenyl-hept-1-ynyl)-5-keto-6,6-dimethyl-1,3-dihydropyrrolo[1,2-c]oxazole-7a-carboxylic acid Formula: C28H37NO7 MolecularWeight: 499.59588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N2C(OCC2(C1(C#CCCC(=O)C(C)(C)C(C3=CC=CC=C3)O)O)C(=O)O)C(C)(C)C)C

Isomeric SMILES

CC1(C(=O)N2[C@H](OC[C@@]2([C@@]1(C#CCCC(=O)C(C)(C)C(C3=CC=CC=C3)O)O)C(=O)O)C(C)(C)C)C

InChI

InChI=1S/C28H37NO7/c1-24(2,3)22-29-21(32)26(6,7)28(35,27(29,17-36-22)23(33)34)16-12-11-15-19(30)25(4,5)20(31)18-13-9-8-10-14-18/h8-10,13-14,20,22,31,35H,11,15,17H2,1-7H3,(H,33,34)/t20?,22-,27+,28+/m1/s1