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Substance Name: Apotrichodiol
RN: 104148-45-0
InChIKey: LRGJZQCUGTZKGE-FQKPHLNHSA-N

Note

  • Fusarium culmorum metabolite.

Molecular Formula

  • C15-H24-O3

Molecular Weight

  • 252.3516
 
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Names and Synonyms

Name of Substance

  • Apotrichodiol

Synonym

  • 3alpha,13-Dihydroxy-apotrichothec-9-ene

Systematic Name

  • 3aH-Cyclopenta(b)benzofuran-3a-methanol, 1,2,3,4a,7,8,8a,8b-octahydro-2-hydroxy-6,8a,8b-trimethyl-, (2R-(2alpha,3abeta,4abeta,8aalpha,8bbeta))-

Registry Numbers

CAS Registry Number

  • 104148-45-0

System Generated Number

  • 0104148450

Structure Descriptors

InChI

1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1

InChIKey

LRGJZQCUGTZKGE-FQKPHLNHSA-N

Smiles

CC1=C[C@H]2[C@](CC1)([C@]3(C[C@H](C[C@]3(O2)CO)O)C)C