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Janthitrem f

  • Formula: C39H51NO7

  • Molecular weight: 645.80

  • Smiles: CC(=O)OC1C=C2C(CCC3(C2(CCC4C3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC(C8C7O)(C)C)(C)C)C)O)C)OC1C(C)(C)O

  • Type: Janthitrems

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Janthitrem f

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

Names

  • Mycotoxin name: Janthitrem f

  • First synonym: Janthitrem f

  • Synonyms: Janthitrem F,Janthitrem E monoacetate,90986-52-0,4b,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10,10,12,12,15b,15c-hexamethyl-3,4b,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indol-3-yl acetate,10-0-Acetyljanthitrem E,[12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl] acetate

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Structure

  • Smiles: CC(=O)OC1C=C2C(CCC3(C2(CCC4C3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC(C8C7O)(C)C)(C)C)C)O)C)OC1C(C)(C)O

  • Isomeric smiles: CC(=O)OC1C=C2C(CCC3(C2(CCC4C3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC(C8C7O)(C)C)(C)C)C)O)C)OC1C(C)(C)O

  • Inchi: InChI=1S/C39H51NO7/c1-19(41)45-29-17-26-28(46-33(29)35(4,5)43)11-12-37(8)38(9)20(10-13-39(26,37)44)14-24-22-15-23-21(16-27(22)40-32(24)38)25-18-34(2,3)47-36(6,7)30(25)31(23)42/h15-18,20,28-31,33,40,42-44H,10-14H2,1-9H3

  • Inchikey: SHMYDSYGDWIPKT-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C39H51NO7

  • Molecular weight: 645.80

  • Monoisotopic mass: 645.36655297

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