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Baccharin B4

  • Formula: C29H38O11

  • Molecular weight: 562.60

  • Smiles: CC1=CC2C3(CC1O)COC(=O)C4C(O4)(C(COC(C=CC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)O)C

  • Type: Trichothecene

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Baccharin B4

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

Names

  • Mycotoxin name: Baccharin B4

  • First synonym: None

  • Synonyms: Baccharinol,EX5DO0C8JK,Baccharin B4,Baccharinol B4,Baccharinoid B 4,Verrucarin A, 7'-deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)-, (2'S,3'R,4'S,7'R(R),8R)-,63783-94-8,NSC269756,Baccharin B6,NSC-269756,UNII-EX5DO0C8JK,CHEMBL1079024,NSC 269756,BRN 5787398,Q27277410,(2S)-dihydroxy-[(1R)-1-hydroxyethyl]-trimethyl-spiro[[?]-2,2'-oxirane]dione,VERRUCARIN A, 7'-DEOXO-2'-DEOXY-2',3'-EPOXY-4',8-DIHYDROXY-7'-((1R)-1-HYDROXYETHYL)-, (2'S,3'R,4'S,7'R,8R)-

Identifiers / External links

Structure

  • Smiles: CC1=CC2C3(CC1O)COC(=O)C4C(O4)(C(COC(C=CC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)O)C

  • Isomeric smiles: CC1=C[C@@H]2[C@@]3(C[C@H]1O)COC(=O)[C@@H]4[C@](O4)([C@H](CO[C@H](/C=C/C=C\C(=O)O[C@H]5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)[C@@H](C)O)O)C

  • Inchi: InChI=1S/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6-/t16-,17-,18-,19+,20-,21-,22-,24-,26-,27-,28-,29+/m1/s1

  • Inchikey: ZGOCMMMDEQOCDU-OIFNLFKASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H38O11

  • Molecular weight: 562.60

  • Monoisotopic mass: 562.24141202

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