Chem
J-GLOBAL ID：200907084459143555   Nikkaji number：J767.241A

Hovenidulcioside B1

ホベニズルシオシドB1
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： C44H70O16
Molecular formula furigana： C44-H70-O16
Molecular weight： 855.028
InChI： InChI=1S/C44H70O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h20-22,24-30,32-37,39-40,45,48-52H,9-19H2,1-8H3/t20-,21-,22+,24+,25-,26+,27-,28+,29-,30+,32+,33-,34-,35+,36-,37-,39+,40+,42+,43-,44+/m1/s1
InChI key： CMTXBVHDOWHMEA-AGGDBPHMSA-N
SMILES： C[C@@H]([C@H](C[C@@H]1C[C@@H](C)C(=O)O1)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@@H]4O[C@@H](C)[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,23S,25R)-3β-(2-O-α-L-ラムノピラノシル-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-ノルダンマラン-16,26-ジオン
  • (2S,3R)-3-[(2'R,3S,4'aR,4'bR,7'S,8'aR,10'aR)-7'-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-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-[(2S,4R)-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'-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4'b,8',8',10'a-tetramethyl-5-oxo-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-2'-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butan-2-yl acetate
Other name (3)：
  • ホベニズルシオシドB1
  • Hovenidulcioside B1
  • (17R,20S,23S,25R)-3β-(2-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyloxy)-17-methyl-20-acetoxy-16,30:23,26-diepoxy-16,17-seco-21-nordammarane-16,26-dione
CAS registry number： 174902-16-0
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