Chem
J-GLOBAL ID：200907029645191879   Nikkaji number：J1.087.519F

26-Deoxycimicifugoside

26-デオキシシミシフゴシド
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： C37H54O10
Molecular formula furigana： C37-H54-O10
Molecular weight： 658.829
InChI： InChI=1S/C37H54O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h9,18,20-22,24-30,39-41H,8,10-17H2,1-7H3/t18-,20-,21+,22+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1
InChI key： PBKJAWKRZRAQQO-YTGDHQJGSA-N
SMILES： C[C@@H]1C[C@]2(OC[C@@]3(C)O[C@@H]23)O[C@H]2C[C@@]3(C)C4=CC[C@@H]5[C@]6(C[C@@]46C[C@@H](OC(=O)C)[C@]3(C)[C@@H]12)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C5(C)C
Systematic name  (3)：
  • (23S,24R,25R)-3β-(β-D-キシロピラノシルオキシ)-9β,19-シクロ-16β,23:23,26:24,25-トリエポキシ-5α-ラノスタ-7-エン-12β-オール12-アセタート
  • (1R,1'S,2S,3'R,4'R,5R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-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-3'-イル アセタート
  • (1R,1'S,2S,3'R,4'R,5R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-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-3'-yl acetate
Other name (3)：
  • (23S,24R,25R)-3β-(β-D-Xylopyranosyloxy)-9β,19-cyclo-16β,23:23,26:24,25-triepoxy-5α-lanosta-7-ene-12β-ol 12-acetate
  • 26-デオキシシミシフゴシド
  • 26-Deoxycimicifugoside
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