(6aS,6bS,8aR,9S,11S,12aS,14aR)-4,6a,6b,8a,11,14a-hexamethyl-3,9,11-tris(oxidanyl)-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione

Systemtic Name: (6aS,6bS,8aR,9S,11S,12aS,14aR)-4,6a,6b,8a,11,14a-hexamethyl-3,9,11-tris(oxidanyl)-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione Openeye Name: (6aS,6bS,8aR,9S,11S,12aS,14aR)-3,9,11-trihydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione CAS Name: (6aS,6bS,8aR,9S,11S,12aS,14aR)-3,9,11-trihydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione IUPAC Name: (6aS,6bS,8aR,9S,11S,12aS,14aR)-3,9,11-trihydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione Traditional Name: (6aS,6bS,8aR,9S,11S,12aS,14aR)-3,9,11-trihydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-quinone Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(C(=O)C5O)(C)O)C)C)C)C)O

Isomeric SMILES

CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](C(=O)[C@H]5O)(C)O)C)C)C)C)O

InChI

InChI=1S/C28H36O5/c1-15-16-7-8-19-24(2,17(16)13-18(29)21(15)30)9-11-27(5)20-14-28(6,33)23(32)22(31)25(20,3)10-12-26(19,27)4/h7-8,13,20,22,30-31,33H,9-12,14H2,1-6H3/t20-,22-,24+,25-,26-,27+,28+/m1/s1