Chem
J-GLOBAL ID：200907068322989710   Nikkaji number：J1.938.634A

Hederacine A

ヘデラシン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： C16H26N2O3
Molecular formula furigana： C16-H26-N2-O3
Molecular weight： 294.395
InChI： InChI=1S/C16H26N2O3/c1-9(13(19)20)10-7-12-14(2)6-5-11(17)15(14,3)8-16(10,21)18(12)4/h11-12,21H,5-8,17H2,1-4H3,(H,19,20)/b10-9-/t11-,12?,14-,15-,16+/m1/s1
InChI key： VESMUQGSQBZLLK-CJXIZKPDSA-N
SMILES： CN1C2C/C(=C(\C)/C(=O)O)/[C@@]1(O)C[C@]1(C)[C@H](N)CC[C@]21C
Systematic name  (3)：
  • 2-[(1R,6Z)-1α-アミノ-3aβ,8aβ,9-トリメチル-4,7-エピミノ-7β-ヒドロキシデカヒドロアズレン-6-イリデン]プロパン酸
  • 2-[(2S,5R,6S,8S,9Z)-5-アミノ-8-ヒドロキシ-2,6,11-トリメチル-11-アザトリシクロ[6.2.1.02,6]ウンデカン-9-イリデン]プロパン酸
  • 2-[(2S,5R,6S,8S,9Z)-5-amino-8-hydroxy-2,6,11-trimethyl-11-azatricyclo[6.2.1.02,6]undecan-9-ylidene]propanoic acid
Other name (3)：
  • 2-[(1R,6Z)-1α-Amino-3aβ,8aβ,9-trimethyl-4,7-epimino-7β-hydroxydecahydroazulene-6-ylidene]propanoic acid
  • ヘデラシンA
  • Hederacine A
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