(4aR,6aR,6aR,6bR,8aS,12aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-oxidanyl-3,13-bis(oxidanylidene)-4a,5,6,6a,7,8,9,10,12,12a,14,14a-dodecahydropicene-2-carbonitrile

Systemtic Name: (4aR,6aR,6aR,6bR,8aS,12aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-oxidanyl-3,13-bis(oxidanylidene)-4a,5,6,6a,7,8,9,10,12,12a,14,14a-dodecahydropicene-2-carbonitrile Openeye Name: (4aR,6aR,6aR,6bR,8aS,12aS,14bR)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a,14,14a-dodecahydropicene-2-carbonitrile CAS Name: (4aR,6aR,6aR,6bR,8aS,12aS,14bR)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a,14,14a-dodecahydropicene-2-carbonitrile IUPAC Name: (4aR,6aR,6aR,6bR,8aS,12aS,14bR)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a,14,14a-dodecahydropicene-2-carbonitrile Traditional Name: (4aR,6aR,6aR,6bR,8aS,12aS,14bR)-8a-hydroxy-3,13-diketo-4,4,6a,6b,11,11,14b-heptamethyl-4a,5,6,6a,7,8,9,10,12,12a,14,14a-dodecahydropicene-2-carbonitrile Formula: C30H43NO3 MolecularWeight: 465.66732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(C2C1)C(=O)CC4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)O)C

Isomeric SMILES

C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)CC4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)O

InChI

InChI=1S/C30H43NO3/c1-25(2)10-12-30(34)13-11-29(7)23(19(30)16-25)20(32)14-22-27(5)15-18(17-31)24(33)26(3,4)21(27)8-9-28(22,29)6/h15,19,21-23,34H,8-14,16H2,1-7H3/t19-,21-,22?,23-,27-,28+,29+,30-/m0/s1