2-[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]ethanoic acid

Systemtic Name: 2-[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]ethanoic acid Openeye Name: 2-[11-benzyloxy-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]acetic acid CAS Name: 2-[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]acetic acid IUPAC Name: 2-[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]acetic acid Traditional Name: 2-(11-benzoxy-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)acetic acid Formula: C38H56O4 MolecularWeight: 576.84884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(CC5(C)CO)OCC6=CC=CC=C6)C)C)C2C1C)C)CC(=O)O

Isomeric SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(CC5(C)CO)OCC6=CC=CC=C6)C)C)C2C1C)C)CC(=O)O

InChI

InChI=1S/C38H56O4/c1-25-14-17-38(22-32(40)41)19-18-36(5)29(33(38)26(25)2)12-13-31-35(4)21-28(42-23-27-10-8-7-9-11-27)20-34(3,24-39)30(35)15-16-37(31,36)6/h7-12,25-26,28,30-31,33,39H,13-24H2,1-6H3,(H,40,41)