Chem
J-GLOBAL ID：200907022299657012   Nikkaji number：J17.273A

Neoandrographolide

ネオアンドログラホリド
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： C26H40O8
Molecular formula furigana： C26-H40-O8
Molecular weight： 480.598
InChI： InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1
InChI key： YGCYRQKJYWQXHG-RDNQFMDVSA-N
SMILES： C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
Systematic name  (4)：
  • 3-[2-[(1R,4aβ)-5α-[(β-D-グルコピラノシルオキシ)メチル]デカヒドロ-5,8aα-ジメチル-2-メチレンナフタレン-1α-イル]エチル]フラン-2(5H)-オン
  • 3-[2-[(1R,4aS,5R,8aS)-5-[(β-D-グルコピラノシルオキシ)メチル]-1,2,3,4,4a,5,6,7,8,8a-デカヒドロ-5,8a-ジメチル-2-メチレンナフタレン-1-イル]エチル]-2(5H)-フラノン
  • 3-{2-[(1R,4aS,5R,8aS)-5,8a-ジメチル-2-メチリデン-5-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)-デカヒドロナフタレン-1-イル]エチル}-2,5-ジヒドロフラン-2-オン
  • 3-{2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one
Other name (4)：
  • ネオアンドログラホリド
  • Neoandrographolide
  • 3-[2-[(1R,4aβ)-5α-[(β-D-Glucopyranosyloxy)methyl]decahydro-5,8aα-dimethyl-2-methylenenaphthalen-1α-yl]ethyl]furan-2(5H)-one
  • 3-[2-[(1R,4aS,5R,8aS)-5-[(β-D-Glucopyranosyloxy)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydro-5,8a-dimethyl-2-methylenenaphthalene-1-yl]ethyl]-2(5H)-furanone
CAS registry number： 27215-14-1
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