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Janthitrem D

  • Formula: C37H47NO5

  • Molecular weight: 585.80

  • Smiles: CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C(C5)C7=C(N6)C=C8C(=C7)CC9C8=CC(OC9(C)C)(C)C)C)O)C)O

  • Type: Janthitrems

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Janthitrem D

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

  • Mycotoxin name: Janthitrem D

  • First synonym: None

  • Synonyms: Janthitrem D,(2S,3R,6S,8R,9S,10R,12S,13S,16S,23S)-2,3,24,24,26,26-hexamethyl-8-prop-1-en-2-yl-7,11,25-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.021,29.023,28]dotriaconta-1(18),19(31),20,27,29-pentaene-9,13-diol,(2S,3R,6S,8R,9S,10R,12S,13S,16S,23S)-2,3,24,24,26,26-hexamethyl-8-prop-1-en-2-yl-7,11,25-trioxa-32-azanonacyclo(16.14.0.02,16.03,13.06,12.010,12.019,31.021,29.023,28)dotriaconta-1(18),19(31),20,27,29-pentaene-9,13-diol,CHEBI:216968,84593-29-3

Identifiers / External links

Structure

  • Smiles: CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C(C5)C7=C(N6)C=C8C(=C7)CC9C8=CC(OC9(C)C)(C)C)C)O)C)O

  • Isomeric smiles: CC(=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=C8C(=C7)C[C@H]9C8=CC(OC9(C)C)(C)C)C)O)C)O

  • Inchi: InChI=1S/C37H47NO5/c1-18(2)29-28(39)31-37(42-31)27(41-29)10-11-34(7)35(8)20(9-12-36(34,37)40)15-23-22-13-19-14-25-24(17-32(3,4)43-33(25,5)6)21(19)16-26(22)38-30(23)35/h13,16-17,20,25,27-29,31,38-40H,1,9-12,14-15H2,2-8H3/t20-,25-,27-,28-,29+,31+,34+,35+,36-,37-/m0/s1

  • Inchikey: UXZOBGCWFHHVSB-SAIJFAOISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C37H47NO5

  • Molecular weight: 585.80

  • Monoisotopic mass: 585.3454236

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