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8-alpha-Hydroxyverrucarin A

  • Formula: C27H34O10

  • Molecular weight: 518.60

  • Smiles: CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C(=CC5O3)C)O)COC(=O)C1O)C)CO4

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8-alpha-Hydroxyverrucarin A

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

Names

  • Mycotoxin name: 8-alpha-Hydroxyverrucarin A

  • First synonym: None

  • Synonyms: 74516-62-4,8-Hydroxy verrucarin A,8-alpha-Hydroxyverrucarin A,NSC291312,alpha-Allylic alcohol of Verrucarin A,8-.alpha.-Hydroxyverrucarin A,VERRUCARIN A, 8-HYDROXY,8.ALPHA.-HYDROXYVERRUCARIN A,NSC318142,Verrucarin A, 8-hydroxy-, (8S)-,NSC 318142,NSC-291312,NSC-318142,.alpha.-Allylic alcohol of Verrucarin A,VERRUCARIN A, A-ALLYLIC ALCOHOL OF

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Structure

  • Smiles: CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C(=CC5O3)C)O)COC(=O)C1O)C)CO4

  • Isomeric smiles: CC1CCOC(=O)/C=C/C=C/C(=O)OC2CC3C4(C2(C5(CC(C(=CC5O3)C)O)COC(=O)C1O)C)CO4

  • Inchi: InChI=1S/C27H34O10/c1-15-8-9-33-21(29)6-4-5-7-22(30)37-18-11-20-27(14-35-27)25(18,3)26(13-34-24(32)23(15)31)12-17(28)16(2)10-19(26)36-20/h4-7,10,15,17-20,23,28,31H,8-9,11-14H2,1-3H3/b6-4+,7-5+

  • Inchikey: KLQXPYFNSWYRBB-YDFGWWAZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H34O10

  • Molecular weight: 518.60

  • Monoisotopic mass: 518.21519728

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