Chem
J-GLOBAL ID：200907099052352130   Nikkaji number：J767.240C

Hovenidulcioside A2

ホベニズルシオシドA2
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： C38H58O12
Molecular formula furigana： C38-H58-O12
Molecular weight： 706.870
InChI： InChI=1S/C38H58O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h14,20,22-28,30-32,34,39,42-44H,8-13,15-18H2,1-7H3/t20-,22+,23-,24+,25-,26+,27-,28+,30-,31+,32-,34+,36+,37-,38+/m1/s1
InChI key： QYJNHCJKVKCJTN-DACNFIPLSA-N
SMILES： C[C@@H]([C@H](C[C@H]1OC(=O)C(=C1)C)OC(=O)C)[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]21COC(=O)C2
Systematic name  (3)：
  • (17R,20S,23R)-3β-(β-D-グルコピラノシルオキシ)-17-メチル-20-アセトキシ-16,30:23,26-ジエポキシ-16,17-セコ-21-ノルダンマラ-24-エン-16,26-ジオン
  • (2S,3R)-3-[(2'R,3S,4'aR,4'bR,7'S,8'aR,10'aR)-4'b,8',8',10'a-テトラメチル-5-オキソ-7'-{[(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}-ドデカヒドロ-2'H-スピロ[オキソラン-3,1'-フェナントレン]-2'-イル]-1-[(2R)-4-メチル-5-オキソ-2,5-ジヒドロフラン-2-イル]ブタン-2-イル アセタート
  • (2S,3R)-3-[(2'R,3S,4'aR,4'bR,7'S,8'aR,10'aR)-4'b,8',8',10'a-tetramethyl-5-oxo-7'-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]butan-2-yl acetate
Other name (5)：
  • ホベニズルシオシドA2
  • Hovenidulcioside A2
  • (17R,20S,23R)-3β-(β-D-Glucopyranosyloxy)-17-methyl-20-acetoxy-16,30:23,26-diepoxy-16,17-seco-21-nordammar-24-ene-16,26-dione
  • ホベニズルシゲニンA-3-O-β-D-グルコピラノシド
  • Hovenidulcigenin A 3-O-β-D-glucopyranoside
CAS registry number： 171499-80-2
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