Chem
J-GLOBAL ID：200907022360405277   Nikkaji number：J1.741.070I

1,2-Dehydroneomajucin

1,2-デヒドロネオマジュシン
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： C15H18O7
Molecular formula furigana： C15-H18-O7
Molecular weight： 310.302
InChI： InChI=1S/C15H18O7/c1-7-3-4-14(19)12(2)6-21-11(18)15(12,20)8-5-13(7,14)9(16)10(17)22-8/h3,8-9,16,19-20H,4-6H2,1-2H3/t8?,9-,12-,13-,14-,15+/m0/s1
InChI key： XPACPYUBNPRNDG-YYANTMIESA-N
SMILES： CC1=CC[C@]2(O)[C@]3(C)COC(=O)[C@]3(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3
Systematic name  (3)：
  • (3aR)-3aβ,7α,10aβ-トリヒドロキシ-8α,10bβ-ジメチル-4β,7aβ-メタノ-1,3a,4,10,10a,10b-ヘキサヒドロ-3H,7aH-シクロペンタ[e]フロ[3,4-c]オキソシン-3,6(7H)-ジオン
  • (1S,5R,6S,10R,11R,14R)-5,10,14-トリヒドロキシ-2,6-ジメチル-8,12-ジオキサテトラシクロ[9.3.1.01,5.06,10]ペンタデカ-2-エン-9,13-ジオン
  • (1S,5R,6S,10R,11R,14R)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-2-ene-9,13-dione
Other name (3)：
  • (3aR)-3aβ,7α,10aβ-Trihydroxy-8α,10bβ-dimethyl-4β,7aβ-methano-1,3a,4,10,10a,10b-hexahydro-3H,7aH-cyclopenta[e]furo[3,4-c]oxocin-3,6(7H)-dione
  • 1,2-デヒドロネオマジュシン
  • 1,2-Dehydroneomajucin
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