(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Systemtic Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Openeye Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid CAS Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enoxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Traditional Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(E)-3-(4-chlorophenyl)acryloyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Formula: C39H53ClO4 MolecularWeight: 621.28872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)Cl)C)C)C2C1C)C)C(=O)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC=C(C=C6)Cl)C)C)[C@H]2[C@H]1C)C)C(=O)O

InChI

InChI=1S/C39H53ClO4/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33H,14,16-23H2,1-7H3,(H,42,43)/b15-10+/t24-,25+,29+,30-,31+,33-,36+,37-,38-,39+/m1/s1