(5S,13S)-5,13-bis(1-adamantyl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-triene

Systemtic Name: (5S,13S)-5,13-bis(1-adamantyl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-triene Openeye Name: (5S,13S)-5,13-bis(1-adamantyl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-triene CAS Name: (5S,13S)-5,13-bis(1-adamantyl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]heneicosa-1(20),17(21),18-triene IUPAC Name: (5S,13S)-5,13-bis(1-adamantyl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-triene Traditional Name: (5S,13S)-5,13-bis(1-adamantyl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]heneicosa-1(20),17(21),18-triene Formula: C38H56O7 MolecularWeight: 624.84704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C1)COCC(OCCOCCOC(COC2)C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC

Isomeric SMILES

COC1=CC2=C(C(=C1)COC[C@@H](OCCOCCO[C@H](COC2)C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC

InChI

InChI=1S/C38H56O7/c1-39-33-13-31-21-42-23-34(37-15-25-7-26(16-37)9-27(8-25)17-37)44-5-3-41-4-6-45-35(24-43-22-32(14-33)36(31)40-2)38-18-28-10-29(19-38)12-30(11-28)20-38/h13-14,25-30,34-35H,3-12,15-24H2,1-2H3/t25?,26?,27?,28?,29?,30?,34-,35-,37?,38?/m1/s1