[(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanol; phthalic acid

Systemtic Name: [(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanol; phthalic acid Openeye Name: [(1R,4aR,4bS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanol; phthalic acid CAS Name: [(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanol; phthalic acid IUPAC Name: [(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanol; phthalic acid Traditional Name: [(1R,4aR,4bS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanol; phthalic acid Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC2C(C1)CCC3C2(CCCC3(C)CO)C.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1CC[C@H]2C(C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C20H36O.C8H6O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;9-7(10)5-3-1-2-4-6(5)8(11)12/h14-18,21H,5-13H2,1-4H3;1-4H,(H,9,10)(H,11,12)/t15?,16?,17-,18-,19-,20+;/m0./s1