1-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-3-(4-hydroxyphenyl)urea

Systemtic Name: 1-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-3-(4-hydroxyphenyl)urea Openeye Name: 1-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-3-(4-hydroxyphenyl)urea CAS Name: 1-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-3-(4-hydroxyphenyl)urea IUPAC Name: 1-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-3-(4-hydroxyphenyl)urea Traditional Name: 1-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-10,14-diketo-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-3-(4-hydroxyphenyl)urea Formula: C37H47N3O4 MolecularWeight: 597.78678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)NC(=O)NC6=CC=C(C=C6)O)C

Isomeric SMILES

C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)NC(=O)NC6=CC=C(C=C6)O

InChI

InChI=1S/C37H47N3O4/c1-32(2)14-16-37(40-31(44)39-23-8-10-24(41)11-9-23)17-15-36(7)29(25(37)20-32)26(42)18-28-34(5)19-22(21-38)30(43)33(3,4)27(34)12-13-35(28,36)6/h8-11,18-19,25,27,29,41H,12-17,20H2,1-7H3,(H2,39,40,44)/t25-,27-,29-,34-,35+,36+,37-/m0/s1