Chem
J-GLOBAL ID：200907074961029132   Nikkaji number：J999.554D

1-Ketobugbanoside A

1-ケトブグバノシド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： C35H50O10
Molecular formula furigana： C35-H50-O10
Molecular weight： 630.775
InChI： InChI=1S/C35H50O10/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/h8,16-19,22-28,36,38-40H,7,9-15H2,1-6H3/t16-,17-,18?,19+,22+,23+,24+,25-,26+,27?,28?,30-,31+,32?,33+,34-,35?/m1/s1
InChI key： AJGRVZHLBDABHU-NZXAXWMDSA-N
SMILES： C[C@@H]1CC2(OC(O)C3(C)OC23)OC2C[C@@]3(C)C4=CC[C@@H]5[C@]6(C[C@@]46CC[C@]3(C)[C@@H]12)C(=O)C[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C5(C)C
Systematic name  (3)：
  • 16,23:23,26:24,25-トリエポキシ-1-オキソ-26-ヒドロキシ-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
  • (1'S,4'R,5'R,6'R,12'R,16'S,18'S,21'S)-4-ヒドロキシ-4',5,6',12',17',17'-ヘキサメチル-18'-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-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'-オン
  • (1'S,4'R,5'R,6'R,12'R,16'S,18'S,21'S)-4-hydroxy-4',5,6',12',17',17'-hexamethyl-18'-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-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'-one
Other name (3)：
  • 16,23:23,26:24,25-Triepoxy-1-oxo-26-hydroxy-9,19-cyclo-5α-lanosta-7-ene-3β-yl β-D-xylopyranoside
  • 1-ケトブグバノシドA
  • 1-Ketobugbanoside A
Thsaurus map：
Thesaurus Map

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