2-[9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-11-phenylmethoxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picen-4a-yl]ethanenitrile

Systemtic Name: 2-[9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-11-phenylmethoxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picen-4a-yl]ethanenitrile Openeye Name: 2-[11-benzyloxy-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picen-4a-yl]acetonitrile CAS Name: 2-[10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-11-phenylmethoxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picen-4a-yl]acetonitrile IUPAC Name: 2-[10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-11-phenylmethoxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picen-4a-yl]acetonitrile Traditional Name: 2-(11-benzoxy-10-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picen-4a-yl)acetonitrile Formula: C38H55NO3 MolecularWeight: 573.8482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)OCC6=CC=CC=C6)C)C)C2C1C)C)CC#N

Isomeric SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)OCC6=CC=CC=C6)C)C)C2C1C)C)CC#N

InChI

InChI=1S/C38H55NO3/c1-25-14-17-38(20-21-39)19-18-36(5)28(32(38)26(25)2)12-13-31-34(3)22-29(42-23-27-10-8-7-9-11-27)33(41)35(4,24-40)30(34)15-16-37(31,36)6/h7-12,25-26,29-33,40-41H,13-20,22-24H2,1-6H3