(3S,4aR,6aR,6aS,14aS,14bS)-3,4a,6a,6a,9,14a-hexamethyl-3,10-bis(oxidanyl)-1,5,6,13,14,14b-hexahydropicene-2,4,11-trione

Systemtic Name: (3S,4aR,6aR,6aS,14aS,14bS)-3,4a,6a,6a,9,14a-hexamethyl-3,10-bis(oxidanyl)-1,5,6,13,14,14b-hexahydropicene-2,4,11-trione Openeye Name: (3S,4aR,6aR,6aS,14aS,14bS)-3,10-dihydroxy-3,4a,6a,6a,9,14a-hexamethyl-1,5,6,13,14,14b-hexahydropicene-2,4,11-trione CAS Name: (3S,4aR,6aR,6aS,14aS,14bS)-3,10-dihydroxy-3,4a,6a,6a,9,14a-hexamethyl-1,5,6,13,14,14b-hexahydropicene-2,4,11-trione IUPAC Name: (3S,4aR,6aR,6aS,14aS,14bS)-3,10-dihydroxy-3,4a,6a,6a,9,14a-hexamethyl-1,5,6,13,14,14b-hexahydropicene-2,4,11-trione Traditional Name: (3S,4aR,6aR,6aS,14aS,14bS)-3,10-dihydroxy-3,4a,6a,6a,9,14a-hexamethyl-1,5,6,13,14,14b-hexahydropicene-2,4,11-trione Formula: C28H34O5 MolecularWeight: 450.56656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(=O)C(C5=O)(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]4CC(=O)[C@](C5=O)(C)O)C)C)C)C)O

InChI

InChI=1S/C28H34O5/c1-15-16-7-8-19-24(2,17(16)13-18(29)22(15)31)9-11-27(5)20-14-21(30)28(6,33)23(32)25(20,3)10-12-26(19,27)4/h7-8,13,20,31,33H,9-12,14H2,1-6H3/t20-,24+,25-,26-,27+,28+/m1/s1