zinc (2S,4aS,6aS,6bR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanidyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Systemtic Name: zinc (2S,4aS,6aS,6bR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanidyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate Openeye Name: zinc (2S,4aS,6aS,6bR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxido-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate CAS Name: zinc (2S,4aS,6aS,6bR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxido-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate IUPAC Name: zinc (2S,4aS,6aS,6bR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxido-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate Traditional Name: zinc (2S,4aS,6aS,6bR,10S,12aS,14bR)-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxido-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate Formula: C30H44O4Zn MolecularWeight: 534.07696

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C.[Zn+2]

Isomeric SMILES

C[C@]12CC[C@](C[C@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)[O-])C)(C)C(=O)[O-].[Zn+2]

InChI

InChI=1S/C30H45O4.Zn/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;/h16,19,21-23H,8-15,17H2,1-7H3,(H,33,34);/q-1;+2/p-1/t19-,21?,22-,23?,26+,27-,28-,29+,30+;/m0./s1