Chem
J-GLOBAL ID：200907089708282619   Nikkaji number：J999.559E

Bugbanogenin A

ブグバノゲニン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： C30H44O6
Molecular formula furigana： C30-H44-O6
Molecular weight： 500.676
InChI： InChI=1S/C30H44O6/c1-15-12-30(22-27(6,35-22)23(33)36-30)34-16-13-26(5)18-8-7-17-24(2,3)19(31)11-20(32)29(17)14-28(18,29)10-9-25(26,4)21(15)16/h8,15-17,19-23,31-33H,7,9-14H2,1-6H3/t15-,16+,17+,19+,20+,21+,22?,23?,25-,26+,27?,28+,29-,30?/m1/s1
InChI key： DQCOLPAIOWMUMD-GEJQUMOXSA-N
SMILES： C[C@@H]1CC2(OC(O)C3(C)OC23)O[C@H]2C[C@@]3(C)C4=CC[C@@H]5[C@]6(C[C@@]46CC[C@]3(C)[C@@H]12)[C@@H](O)C[C@H](O)C5(C)C
Systematic name  (3)：
  • 16β,23:23,26:24,25-トリエポキシ-9β,19-シクロ-5α-ラノスタ-7-エン-1α,3β,26-トリオール
  • (1'S,4'R,5'R,6'R,10'S,12'R,16'S,18'S,20'S,21'S)-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-4,18',20'-トリオール
  • (1'S,4'R,5'R,6'R,10'S,12'R,16'S,18'S,20'S,21'S)-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'-ene-4,18',20'-triol
Other name (3)：
  • 16β,23:23,26:24,25-Triepoxy-9β,19-cyclo-5α-lanosta-7-ene-1α,3β,26-triol
  • ブグバノゲニンA
  • Bugbanogenin A
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