Chem
J-GLOBAL ID：200907069047585120   Nikkaji number：J1.490.018G

Nafuredin

ナフレジン
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： C22H32O4
Molecular formula furigana： C22-H32-O4
Molecular weight： 360.494
InChI： InChI=1S/C22H32O4/c1-6-15(2)11-9-12-17(4)14-16(3)10-7-8-13-18-22(5)20(26-22)19(23)21(24)25-18/h7-13,15-16,18-20,23H,6,14H2,1-5H3/b10-7+,11-9+,13-8+,17-12+/t15-,16-,18+,19+,20-,22+/m0/s1
InChI key： NMEGHQQRWKBPQO-IMNRXHEYSA-N
SMILES： CC[C@H](C)/C=C/C=C(\C)/C[C@@H](C)/C=C/C=C/[C@H]1OC(=O)[C@H](O)[C@@H]2O[C@]12C
Systematic name  (3)：
  • (1R,2R,5R,6S)-5-ヒドロキシ-1-メチル-2-[(1E,3E,5R,7E,9E,11S)-5,7,11-トリメチルトリデカ-1,3,7,9-テトラエニル]-3,7-ジオキサビシクロ[4.1.0]ヘプタン-4-オン
  • (1R,2R,5R,6S)-5-ヒドロキシ-1-メチル-2-[(1E,3E,5R,7E,9E,11S)-5,7,11-トリメチルトリデカ-1,3,7,9-テトラエン-1-イル]-3,7-ジオキサビシクロ[4.1.0]ヘプタン-4-オン
  • (1R,2R,5R,6S)-5-hydroxy-1-methyl-2-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyltrideca-1,3,7,9-tetraen-1-yl]-3,7-dioxabicyclo[4.1.0]heptan-4-one
Other name (6)：
  • (+)-ナフレジン
  • ナフレジン
  • Nafuredin
  • (1R,2R,5R,6S)-5-Hydroxy-1-methyl-2-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyltrideca-1,3,7,9-tetraenyl]-3,7-dioxabicyclo[4.1.0]heptane-4-one
  • (+)-Nafuredin
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CAS registry number： 224427-79-6
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