Chem
J-GLOBAL ID：201807020348482255   Nikkaji number：J3.690.612J

Nectrianolin A

ネクトリアノリンA
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： C22H32O5
Molecular formula furigana： C22-H32-O5
Molecular weight： 376.493
InChI： InChI=1S/C22H32O5/c1-13(8-9-21(4)14(2)6-5-7-15(21)3)10-17(24)22-18(25)11-16(12-23)19(26)20(22)27-22/h6,10-11,15,17,19-20,23-24,26H,5,7-9,12H2,1-4H3/b13-10+/t15-,17+,19-,20+,21-,22-/m1/s1
InChI key： SKKQGMOXFDDHJW-FIGLWHKKSA-N
SMILES： C[C@@H]1CCC=C(C)[C@@]1(C)CC/C(=C/[C@H](O)[C@]12O[C@H]1[C@H](O)C(=CC2=O)CO)/C
Systematic name  (3)：
  • (6β)-1β-[(1S,2E)-1-ヒドロキシ-3-メチル-5-(1,2,6β-トリメチル-2-シクロヘキセン-1α-イル)-2-ペンテニル]-4-(ヒドロキシメチル)-5β-ヒドロキシ-7-オキサビシクロ[4.1.0]ヘプタ-3-エン-2-オン
  • (1S,5R,6S)-5-ヒドロキシ-1-[(1S,2E)-1-ヒドロキシ-3-メチル-5-[(1S,6R)-1,2,6-トリメチルシクロヘキサ-2-エン-1-イル]ペンタ-2-エン-1-イル]-4-(ヒドロキシメチル)-7-オキサビシクロ[4.1.0]ヘプタ-3-エン-2-オン
  • (1S,5R,6S)-5-hydroxy-1-[(1S,2E)-1-hydroxy-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-en-1-yl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Other name (3)：
  • (6β)-1β-[(1S,2E)-1-Hydroxy-3-methyl-5-(1,2,6β-trimethyl-2-cyclohexene-1α-yl)-2-pentenyl]-4-(hydroxymethyl)-5β-hydroxy-7-oxabicyclo[4.1.0]hepta-3-ene-2-one
  • ネクトリアノリンA
  • Nectrianolin A
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