(5aS,6S,7S,9aS)-6-[(2E)-2-[(2R,4aS,5S,8aR)-2,5,8,8-tetramethyl-5-oxidanyl-3,4,4a,6,7,8a-hexahydro-2H-naphthalen-1-ylidene]ethyl]-2,2,5a,7-tetramethyl-7-oxidanyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one

Systemtic Name: (5aS,6S,7S,9aS)-6-[(2E)-2-[(2R,4aS,5S,8aR)-2,5,8,8-tetramethyl-5-oxidanyl-3,4,4a,6,7,8a-hexahydro-2H-naphthalen-1-ylidene]ethyl]-2,2,5a,7-tetramethyl-7-oxidanyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one Openeye Name: (5aS,6S,7S,9aS)-6-[(2E)-2-[(2R,4aS,5S,8aR)-5-hydroxy-2,5,8,8-tetramethyl-decalin-1-ylidene]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one CAS Name: (5aS,6S,7S,9aS)-6-[(2E)-2-[(2R,4aS,5S,8aR)-5-hydroxy-2,5,8,8-tetramethyl-3,4,4a,6,7,8a-hexahydro-2H-naphthalen-1-ylidene]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one IUPAC Name: (5aS,6S,7S,9aS)-6-[(2E)-2-[(2R,4aS,5S,8aR)-5-hydroxy-2,5,8,8-tetramethyl-3,4,4a,6,7,8a-hexahydro-2H-naphthalen-1-ylidene]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one Traditional Name: (5aS,6S,7S,9aS)-6-[(2E)-2-[(2R,4aS,5S,8aR)-5-hydroxy-2,5,8,8-tetramethyl-decalin-1-ylidene]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one Formula: C30H50O4 MolecularWeight: 474.7156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1=CCC3C4(CCC(=O)C(OC4CCC3(C)O)(C)C)C)C(CCC2(C)O)(C)C

Isomeric SMILES

C[C@@H]\1CC[C@H]2[C@@H](/C1=C/C[C@H]3[C@@]4(CCC(=O)C(O[C@H]4CC[C@]3(C)O)(C)C)C)C(CC[C@]2(C)O)(C)C

InChI

InChI=1S/C30H50O4/c1-19-9-11-21-25(26(2,3)17-18-29(21,7)32)20(19)10-12-22-28(6)15-13-23(31)27(4,5)34-24(28)14-16-30(22,8)33/h10,19,21-22,24-25,32-33H,9,11-18H2,1-8H3/b20-10+/t19-,21+,22+,24+,25-,28+,29+,30+/m1/s1