CDDU-Me

Inoa Kimia:

methyl (1S,2R,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-1,2,6a,6b,9,9,12a-heptamethyl-10,14-d ioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-hexadecahydropicene-4a(2H)-carboxylate

SMILES Code:

O=C1C(C#N)=C[C@@]2(C)[C@](CC[C@]([C@@]3(C)[C@@]4([H]) [C@@]5([H] )[C@@](CC[C@@H](C)[C@@H]5C)(C(OC)=O)CC3)(C)C2=CC4=O)([H])C1 (C)C

Code InChi:

InChI=1S/C32H43NO4/c1-18-9-12-32(27(36)37-8)14-13-31(7)25(24(32)19(18)2)21(34)15- 23-29(5)16-20(17-33)26(35) 28(3,4)22(29)10-11-30(23,31)6/h15-16,18-19,22,24-25H,9-14H2,1-8H3/t18-,19+, 22+,24+,25-,29+,30-,31-,32+/m1/s1

Ki InChi:

FBFIPYQVVRWCIY-VPQHEVHVSA-N

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