Chem
J-GLOBAL ID：200907085528142090   Nikkaji number：J2.773.011F

Fulvine

フルビン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C16H23NO5
Molecular formula furigana： C16-H23-N-O5
Molecular weight： 309.362
InChI： InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3/t9?,10-,12+,13+,16-/m0/s1
InChI key： PSUFRPOAICRSTC-ULRTWBKGSA-N
SMILES： CC1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C)[C@@]1(C)O)[C@@H]23
Systematic name  (3)：
  • (13S,14R)-14,19-ジヒドロ-13-ヒドロキシ-20-ノルクロタラナン-11,15-ジオン
  • (1R,4R,5S,6S,16R)-5-ヒドロキシ-4,5,6-トリメチル-2,8-ジオキサ-13-アザトリシクロ[8.5.1.013,16]ヘキサデカ-10-エン-3,7-ジオン
  • (1R,4R,5S,6S,16R)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Other name (3)：
  • (13S,14R)-14,19-Dihydro-13-hydroxy-20-norcrotalanan-11,15-dione
  • Fulvine
  • フルビン
CAS registry number： 6029-87-4
KEGG COMPOUND： C10304
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