Chem
J-GLOBAL ID：200907077830134339   Nikkaji number：J973.069I

Bugbanoside B

ブグバノシド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： C35H54O10
Molecular formula furigana： C35-H54-O10
Molecular weight： 634.807
InChI： InChI=1S/C35H54O10/c1-16-12-35(27-32(6,44-27)28(40)45-35)43-18-13-31(5)20-8-7-19-29(2,3)22(42-26-25(39)24(38)17(36)14-41-26)11-21(37)34(19)15-33(20,34)10-9-30(31,4)23(16)18/h16-28,36-40H,7-15H2,1-6H3/t16-,17-,18+,19+,20+,21+,22+,23+,24+,25-,26+,27-,28?,30-,31+,32+,33+,34-,35-/m1/s1
InChI key： KXAUNYFMGBUMBM-XZMKMXDUSA-N
SMILES： C[C@@H]1C[C@]2(OC(O)[C@@]3(C)O[C@@H]23)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46CC[C@]3(C)[C@@H]12)[C@@H](O)C[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C5(C)C
Systematic name  (3)：
  • (20R,23R,24R,25S,26R*)-16β,23:23,26:24,25-トリエポキシ-3β-(β-D-キシロピラノシルオキシ)-9β,19-シクロラノスタン-1α,26-ジオール
  • (2S,3R,4S,5R)-2-[(1R,1'S,2R,4'R,5S,5'R,6'R,10'S,12'S,13'S,16'S,18'S,20'S,21'S)-4',5,6',12',17',17'-ヘキサメチル-3,6,9'-トリオキサスピロ[ビシクロ[3.1.0]ヘキサン-2,8'-ヘキサシクロ[11.9.0.01,21.04,12.05,10.016,21]ドコサン]-4,20'-ジオロキシ]オキサン-3,4,5-トリオール
  • (2S,3R,4S,5R)-2-[(1R,1'S,2R,4'R,5S,5'R,6'R,10'S,12'S,13'S,16'S,18'S,20'S,21'S)-4',5,6',12',17',17'-hexamethyl-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-4,20'-dioloxy]oxane-3,4,5-triol
Other name (3)：
  • (20R,23R,24R,25S,26R*)-16β,23:23,26:24,25-Triepoxy-3β-(β-D-xylopyranosyloxy)-9β,19-cyclolanostane-1α,26-diol
  • ブグバノシドB
  • Bugbanoside B
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