Chem
J-GLOBAL ID：200907066158296862   Nikkaji number：J2.420.851F

Borassoside D

ボラッソシドD
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： C39H62O12
Molecular formula furigana： C39-H62-O12
Molecular weight： 722.913
InChI： InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(45)31(43)34(27(16-40)49-36)50-35-32(44)30(42)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1
InChI key： ZUMDKMTZYHACBK-LRHBBOIQSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@]21CC[C@H](C)CO2
Systematic name  (3)：
  • (22S,25S)-3β-(4-O-α-L-ラムノピラノシル-β-D-グルコピラノシルオキシ)スピロスタ-5-エン
  • (2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-[(1'S,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-18'-エネオキシ]オキサン-3-イル]オキシ}-6-メチルオキサン-3,4,5-トリオール
  • (2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'S,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
Other name (3)：
  • (22S,25S)-3β-(4-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyloxy)spirosta-5-ene
  • ボラッソシドD
  • Borassoside D
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