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Lolitrem e

  • Formula: C42H57NO7

  • Molecular weight: 687.90

  • Smiles: CC(=CCOC(C)(C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C(C5)C7=C(N6)C=CC8=C7CC9C(C8=O)C(OC9(C)C)(C)C)C)O)C)O)C

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Lolitrem e

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Lolitrem e

  • First synonym: Lolitrem e

  • Synonyms: Lolitrem E,C20550

Identifiers / External links

Structure

  • Smiles: CC(=CCOC(C)(C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C(C5)C7=C(N6)C=CC8=C7CC9C(C8=O)C(OC9(C)C)(C)C)C)O)C)O)C

  • Isomeric smiles: CC(=CCOC(C)(C)[C@@H]1[C@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C(C5)C7=C(N6)C=CC8=C7C[C@@H]9[C@@H](C8=O)C(OC9(C)C)(C)C)C)O)C)O)C

  • Inchi: InChI=1S/C42H57NO7/c1-21(2)15-18-47-38(7,8)34-32(45)35-42(49-35)28(48-34)14-16-39(9)40(10)22(13-17-41(39,42)46)19-25-29-24-20-26-30(37(5,6)50-36(26,3)4)31(44)23(24)11-12-27(29)43-33(25)40/h11-12,15,22,26,28,30,32,34-35,43,45-46H,13-14,16-20H2,1-10H3/t22-,26+,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1

  • Inchikey: XERCMAQJPCQQAO-OKQVYEMSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C42H57NO7

  • Molecular weight: 687.90

  • Monoisotopic mass: 687.41350316

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