Janthitrem A

Formula: C37H47NO6
Molecular weight: 601.80
Smiles: CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C(C5)C7=CC8=C(C=C7N6)C9=CC(OC(C9C8O)(C)C)(C)C)C)O)C)O
Type: Janthitrems

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Janthitrem A

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Janthitrem A
First synonym: None
Synonyms: Janthitrem A,73561-89-4,(2S,3R,6S,8R,9S,10R,12S,13S,16S,22S,23R)-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),19,21(29),27,30-pentaene-9,13,22-triol,(2S,3R,6S,8R,9S,10R,12S,13S,16S,22S,23R)-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),19,21(29),27,30-pentaene-9,13,22-triol,CHEBI:216962,HY-N12169,AKOS040754827,CS-0892734

Smiles: CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C(C5)C7=CC8=C(C=C7N6)C9=CC(OC(C9C8O)(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=CC8=C(C=C7N6)C9=CC(OC([C@H]9[C@@H]8O)(C)C)(C)C)C)O)C)O
Inchi: InChI=1S/C37H47NO6/c1-17(2)29-28(40)31-37(43-31)25(42-29)10-11-34(7)35(8)18(9-12-36(34,37)41)13-22-20-14-21-19(15-24(20)38-30(22)35)23-16-32(3,4)44-33(5,6)26(23)27(21)39/h14-16,18,25-29,31,38-41H,1,9-13H2,2-8H3/t18-,25-,26+,27+,28-,29+,31+,34+,35+,36-,37-/m0/s1
Inchikey: ZHNJCSDFBNOBNM-MUVGSFBYSA-N

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Fungi id	Species
839	Penicillium janthinellum