Structure Information
Structure

Compound Identification

SMILES

CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(CC([O-])=O)(C(C)(C)[C@@H]5CC[C@@]34C)[N+](C)(C)CC[N+](C)(C)C3(CC([O-])=O)CC[C@@]4(C)[C@@H](CC[C@]5(C)C4CC[C@@H]4[C@H]6[C@@H](CC[C@]6(C)CC[C@@]54C)C(C)=C)C3(C)C)[C@@H]12

InChIKey

InChIKey=ITWADEAGSVXDFA-ZYTYRWTHSA-N

Formula

C70H116N2O4

Mass

1049.708

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Entity with smiles CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(CC([O-])=O)(C(C)(C)[C@@H]5CC[C@@]34C)[N+](C)(C)CC[N+](C)(C)C3(CC([O-])=O)CC[C@@]4(C)[C@@H](CC[C@]5(C)C4CC[C@@H]4[C@H]6[C@@H](CC[C@]6(C)CC[C@@]54C)C(C)=C)C3(C)C)[C@@H]12 has not been classified yet.

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