Chem
J-GLOBAL ID：200907083350841566   Nikkaji number：J1.436.420J

27-Deoxyactein

27-デオキシアクテイン
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： C37H56O10
Molecular formula furigana： C37-H56-O10
Molecular weight： 660.845
InChI： InChI=1S/C37H56O10/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/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21?,22+,23+,24+,25-,26+,27+,28-,29+,30?,32+,33?,34-,35-,36+,37?/m1/s1
InChI key： GCMGJWLOGKSUGX-ZFNRBNMMSA-N
SMILES： C[C@@H]1CC2(OCC3(C)OC23)OC2C[C@@]3(C)[C@@H]4CC[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)：
  • 12β-アセトキシ-16,23:23,26:24,25-トリエポキシ-9,19-シクロ-5α-ラノスタン-3β-イルβ-D-キシロピラノシド
  • (1'R,3'R,4'R,5'R,6'R,12'S,13'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]-3'-イル アセタート
  • (1'R,3'R,4'R,5'R,6'R,12'S,13'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]-3'-yl acetate
Other name (5)：
  • 12β-Acetoxy-16,23:23,26:24,25-triepoxy-9,19-cyclo-5α-lanostane-3β-yl β-D-xylopyranoside
  • 26-デオキシアクテイン
  • 26-Deoxyactein
  • 27-デオキシアクテイン
  • 27-Deoxyactein
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