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Substance Name: Sphaeropsidin A
RN: 38991-80-9
UNII: 9F59Q9OS1I
InChIKey: FEKFUWWVNCCROX-SQWSIXGCSA-N

Note

  • Main phytotoxin produced by Diplodia cupressi.

Molecular Formula

  • C20-H26-O5

Molecular Weight

  • 346.4204
 
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Names and Synonyms

Name of Substance

  • Sphaeropsidin A

Synonyms

  • (4aR,4bR,7R,10S,10aS)-7-Ethenyl-1,2,3,4,4b,5,6,7,10,10a-decahydro-4b,10-dihydroxy-1,1,7-trimethyl-9H-10,4a-(epoxymethano)phenanthrene-9,12-dione
  • 9H-10,4a-(Epoxymethano)phenanthrene-9,12-dione, 7-ethenyl-1,2,3,4,4b,5,6,7,10,10a-decahydro-4b,10-dihydroxy-1,1,7-trimethyl-, (4aR,4bR,7R,10S,10aS)-
  • Antibiotic LL-S491beta
  • LL-S491beta
  • Sphaeropsidin A
  • Sphaeropsidin A, (+)-
  • UNII-9F59Q9OS1I

Registry Numbers

CAS Registry Number

  • 38991-80-9

FDA UNII

  • 9F59Q9OS1I

System Generated Number

  • 0038991809

Structure Descriptors

InChI

1S/C20H26O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20+/m0/s1

InChIKey

FEKFUWWVNCCROX-SQWSIXGCSA-N

Smiles

CC1(C)CCC[C@]23[C@H]1[C@](O)(OC2=O)C(=O)C4=C[C@](C)(CC[C@]34O)C=C