Chem
J-GLOBAL ID：200907007115025494   Nikkaji number：J999.550A

(26S)-O-Methylbugbanoside A

(26S)-O-メチルブグバノシドA
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： C36H54O10
Molecular formula furigana： C36-H54-O10
Molecular weight： 646.818
InChI： InChI=1S/C36H54O10/c1-17-13-36(28-33(6,45-28)29(41-7)46-36)44-19-14-32(5)21-9-8-20-30(2,3)23(43-27-26(40)25(39)18(37)15-42-27)12-22(38)35(20)16-34(21,35)11-10-31(32,4)24(17)19/h9,17-20,22-29,37-40H,8,10-16H2,1-7H3/t17-,18-,19?,20+,22+,23+,24+,25+,26-,27+,28?,29+,31-,32+,33?,34+,35-,36?/m1/s1
InChI key： WFFNOLMHKNKDAJ-SYUYSZHHSA-N
SMILES： CO[C@H]1OC2(C[C@@H](C)[C@H]3C(C[C@@]4(C)C5=CC[C@@H]6[C@]7(C[C@@]57CC[C@]34C)[C@@H](O)C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C6(C)C)O2)C2OC12C
Systematic name  (3)：
  • [(26S)-16,23:23,26:24,25-トリエポキシ-1α-ヒドロキシ-26-メトキシ-9,19-シクロ-5α-ラノスタ-7-エン-3β-イル]β-D-キシロピラノシド
  • (2S,3R,4S,5R)-2-[(1'S,4S,4'R,5'R,6'R,12'R,16'S,18'S,20'S,21'S)-4-メトキシ-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]-13'-エン-20'-オロキシ]オキサン-3,4,5-トリオール
  • (2S,3R,4S,5R)-2-[(1'S,4S,4'R,5'R,6'R,12'R,16'S,18'S,20'S,21'S)-4-methoxy-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]docosan]-13'-en-20'-oloxy]oxane-3,4,5-triol
Other name (3)：
  • [(26S)-16,23:23,26:24,25-Triepoxy-1α-hydroxy-26-methoxy-9,19-cyclo-5α-lanosta-7-ene-3β-yl]β-D-xylopyranoside
  • (26S)-O-メチルブグバノシドA
  • (26S)-O-Methylbugbanoside A
Thsaurus map：
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