Chem
J-GLOBAL ID：200907001711000875   Nikkaji number：J1.087.512I

26-Deoxycimicifugenin

26-デオキシシミシフゲニン
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： C32H46O6
Molecular formula furigana： C32-H46-O6
Molecular weight： 526.714
InChI： InChI=1S/C32H46O6/c1-17-12-32(25-28(6,38-25)16-35-32)37-19-13-27(5)21-9-8-20-26(3,4)22(34)10-11-30(20)15-31(21,30)14-23(36-18(2)33)29(27,7)24(17)19/h9,17,19-20,22-25,34H,8,10-16H2,1-7H3/t17-,19+,20+,22+,23-,24+,25-,27+,28-,29-,30-,31+,32+/m1/s1
InChI key： QHPCLXDNVSKVBS-HVCZWASASA-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)C5(C)C
Systematic name  (3)：
  • (23S,24R,25R)-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-3β,12β-ジオール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)-18'-ヒドロキシ-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-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)-18'-hydroxy-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-3'-yl acetate
Other name (3)：
  • (23S,24R,25R)-9β,19-Cyclo-16β,23:23,26:24,25-triepoxy-5α-lanosta-7-ene-3β,12β-diol 12-acetate
  • 26-デオキシシミシフゲニン
  • 26-Deoxycimicifugenin
Thsaurus map：
Thesaurus Map

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