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Myrotoxin B

  • Formula: C29H34O11

  • Molecular weight: 558.60

  • Smiles: CC1=CC2C3(CC1OC(=O)C)COC(=O)C4C5(O4)CCOC(=CCC=CC(=O)OC6C3(C7(CO7)C(C6)O2)C)C5O

  • Type: Trichothecene

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Myrotoxin B

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

Names

  • Mycotoxin name: Myrotoxin B

  • First synonym: None

  • Synonyms: 1PX13P7HGK,Myrotoxin B,UNII-1PX13P7HGK,Satratoxin H, 8-(acetyloxy)-6',7'-didehydro-6'-de(1-hydroxyethyl)-2',3'-epoxy-2',3',7',8'-tetrahydro-,Satratoxin H, 2',3',7',8'-tetrahydro-8-(acetyloxy)-6'-de(1-hydroxyethyl)-6',7'-didehydro-2',3'-epoxy-,Spiro(10,12:19,22a-dimethano-4H,5H,22aH-oxireno(8,9)(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-11(10H),2'-oxirane)-2,14(1aH,17H)-dione, 6-(acetyloxy)-6,8a,11a,12,21,22-hexahydro-23-hydroxy-7,11a-dimethyl-, (1aS,4aR,6S,8aR,10R,11S,11aS,12R,15Z,18Z,22aR,23S)-,99486-49-4,((1R,3S,7R,9S,12R,14R,15S,16S,17R,20Z,23Z,28S)-28-hydroxy-10,16-dimethyl-4,19-dioxospiro(2,5,13,18,25-pentaoxahexacyclo(22.3.1.114,17.01,3.07,12.07,16)nonacosa-10,20,23-triene-15,2'-oxirane)-9-yl) acetate,((1R,3S,7R,9S,16S,17R,20Z,23Z)-28-hydroxy-10,16-dimethyl-4,19-dioxospiro(2,5,13,18,25-pentaoxahexacyclo(22.3.1.114,17.01,3.07,12.07,16)nonacosa-10,20,23-triene-15,2'-oxirane)-9-yl) acetate,[(1R,3S,7R,9S,12R,14R,15S,16S,17R,20Z,23Z,28S)-28-hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate,[(1R,3S,7R,9S,16S,17R,20Z,23Z)-28-hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate

Identifiers / External links

Structure

  • Smiles: CC1=CC2C3(CC1OC(=O)C)COC(=O)C4C5(O4)CCOC(=CCC=CC(=O)OC6C3(C7(CO7)C(C6)O2)C)C5O

  • Isomeric smiles: CC1=C[C@@H]2[C@@]3(C[C@@H]1OC(=O)C)COC(=O)[C@@H]4[C@@]5(O4)CCO/C(=C\C/C=C\C(=O)O[C@H]6[C@]3([C@]7(CO7)[C@@H](C6)O2)C)/[C@@H]5O

  • Inchi: InChI=1S/C29H34O11/c1-15-10-20-27(12-18(15)37-16(2)30)13-35-25(33)24-28(40-24)8-9-34-17(23(28)32)6-4-5-7-22(31)39-19-11-21(38-20)29(14-36-29)26(19,27)3/h5-7,10,18-21,23-24,32H,4,8-9,11-14H2,1-3H3/b7-5-,17-6-/t18-,19+,20+,21+,23-,24+,26+,27+,28+,29-/m0/s1

  • Inchikey: BDPRKFBFVAVFJK-NBEUFRNYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H34O11

  • Molecular weight: 558.60

  • Monoisotopic mass: 558.2101119

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