(3S,4Z,4aR,8S,8aS)-4-[2-[(3S,5aS,6S,7S,9aS)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethylidene]-3,5,5,8-tetramethyl-8-oxidanyl-4a,6,7,8a-tetrahydro-1H-naphthalen-2-one

Systemtic Name: (3S,4Z,4aR,8S,8aS)-4-[2-[(3S,5aS,6S,7S,9aS)-2,2,5a,7-tetramethyl-3,7-bis(oxidanyl)-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethylidene]-3,5,5,8-tetramethyl-8-oxidanyl-4a,6,7,8a-tetrahydro-1H-naphthalen-2-one Openeye Name: (3S,4Z,4aR,8S,8aS)-4-[2-[(3S,5aS,6S,7S,9aS)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethylidene]-8-hydroxy-3,5,5,8-tetramethyl-decalin-2-one CAS Name: (3S,4Z,4aR,8S,8aS)-4-[2-[(3S,5aS,6S,7S,9aS)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethylidene]-8-hydroxy-3,5,5,8-tetramethyl-4a,6,7,8a-tetrahydro-1H-naphthalen-2-one IUPAC Name: (3S,4Z,4aR,8S,8aS)-4-[2-[(3S,5aS,6S,7S,9aS)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethylidene]-8-hydroxy-3,5,5,8-tetramethyl-4a,6,7,8a-tetrahydro-1H-naphthalen-2-one Traditional Name: (3S,4Z,4aR,8S,8aS)-4-[2-[(3S,5aS,6S,7S,9aS)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethylidene]-8-hydroxy-3,5,5,8-tetramethyl-decalin-2-one Formula: C30H50O5 MolecularWeight: 490.715

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)CC2C(C1=CCC3C4(CCC(C(OC4CCC3(C)O)(C)C)O)C)C(CCC2(C)O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H50O5/c1-18-19(25-20(17-21(18)31)29(7,33)16-15-26(25,2)3)9-10-22-28(6)13-11-23(32)27(4,5)35-24(28)12-14-30(22,8)34/h9,18,20,22-25,32-34H,10-17H2,1-8H3/b19-9+/t18-,20-,22-,23-,24-,25+,28-,29-,30-/m0/s1