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Janthitrem C

  • Formula: C37H47NO4

  • Molecular weight: 569.80

  • Smiles: CC(=C)C1C(C=C2C(O1)CCC3(C2(CCC4C3(C5=C(C4)C6=C(N5)C=C7C(=C6)CC8C7=CC(OC8(C)C)(C)C)C)O)C)O

  • Type: Janthitrems

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Janthitrem C

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

  • Mycotoxin name: Janthitrem C

  • First synonym: None

  • Synonyms: Janthitrem C,73561-91-8,(2S,3R,6S,8R,9R,12S,15S,22S)-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-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(30),19,26,28-hexaene-9,12-diol,(2R,3R,4bS,6aS,9aS,15bS,15cR,17aS)-2-Isopropenyl-10,10,12,12,15b,15c-hexamethyl-2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-4bH-chromeno(5',6':6,7)indeno(1,2-b)pyrano(4',3':3,4)cyclopen ta(1,2-f)indole-3,4b-diol,(2R,3R,4bS,6aS,9aS,15bS,15cR,17aS)-2-Isopropenyl-10,10,12,12,15b,15c-hexamethyl-2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-4bH-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopen ta[1,2-f]indole-3,4b-diol,(2S,3R,6S,8R,9R,12S,15S,22S)-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-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(30),19,26,28-hexaene-9,12-diol,2,3,23,23,25,25-hexamethyl-8-(prop-1-en-2-yl)-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(30),19,26,28-hexaene-9,12-diol,2,3,23,23,25,25-hexamethyl-8-(prop-1-en-2-yl)-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(30),19,26,28-hexaene-9,12-diol,DTXSID50994344,CHEBI:169891,AKOS040752155,C20601,10,10,12,12,15b,15c-Hexamethyl-2-(prop-1-en-2-yl)-2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-4bH-[1]benzopyrano[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indole-3,4b-diol

Identifiers / External links

Structure

  • Smiles: CC(=C)C1C(C=C2C(O1)CCC3(C2(CCC4C3(C5=C(C4)C6=C(N5)C=C7C(=C6)CC8C7=CC(OC8(C)C)(C)C)C)O)C)O

  • Isomeric smiles: CC(=C)[C@@H]1[C@@H](C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=C(N5)C=C7C(=C6)C[C@H]8C7=CC(OC8(C)C)(C)C)C)O)C)O

  • Inchi: InChI=1S/C37H47NO4/c1-19(2)31-29(39)17-27-30(41-31)10-11-35(7)36(8)21(9-12-37(27,35)40)15-24-23-13-20-14-26-25(18-33(3,4)42-34(26,5)6)22(20)16-28(23)38-32(24)36/h13,16-18,21,26,29-31,38-40H,1,9-12,14-15H2,2-8H3/t21-,26-,29+,30-,31+,35+,36+,37+/m0/s1

  • Inchikey: HVLXXQDJGPKVMK-NCVKUBNTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C37H47NO4

  • Molecular weight: 569.80

  • Monoisotopic mass: 569.35050898

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