Chem
J-GLOBAL ID：200907044747930438   Nikkaji number：J767.244F

Hovenidulcigenin B

ホベニズルシゲニンB
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： C32H50O7
Molecular formula furigana： C32-H50-O7
Molecular weight： 546.745
InChI： InChI=1S/C32H50O7/c1-18-14-21(39-28(18)36)15-23(38-20(3)33)19(2)22-8-9-25-30(6)12-11-26(34)29(4,5)24(30)10-13-31(25,7)32(22)16-27(35)37-17-32/h18-19,21-26,34H,8-17H2,1-7H3/t18?,19-,21-,22-,23+,24+,25-,26+,30+,31-,32+/m1/s1
InChI key： MXWZRFQGLOGOMW-JYEGKYGPSA-N
SMILES： C[C@@H]([C@H](C[C@H]1CC(C)C(=O)O1)OC(=O)C)[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]21COC(=O)C2
Systematic name  (3)：
  • (17R,20S,23R)-3β-ヒドロキシ-17-メチル-20-アセトキシ-16,30:23,26-ジエポキシ-16,17-セコ-21-ノルダンマラン-16,26-ジオン
  • (2S,3R)-3-[(2'R,3S,4'aR,4'bR,7'S,8'aR,10'aR)-7'-ヒドロキシ-4'b,8',8',10'a-テトラメチル-5-オキソ-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-オキソオキソラン-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)-7'-hydroxy-4'b,8',8',10'a-tetramethyl-5-oxo-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-methyl-5-oxooxolan-2-yl]butan-2-yl acetate
Other name (3)：
  • ホベニズルシゲニンB
  • Hovenidulcigenin B
  • (17R,20S,23R)-3β-Hydroxy-17-methyl-20-acetoxy-16,30:23,26-diepoxy-16,17-seco-21-nordammarane-16,26-dione
Thsaurus map：
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