Chem
J-GLOBAL ID：200907008745747893   Nikkaji number：J987.592A

Agosterol A

アゴステロール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： C33H52O8
Molecular formula furigana： C33-H52-O8
Molecular weight： 576.771
InChI： InChI=1S/C33H52O8/c1-17(2)9-12-25(37)18(3)23-10-11-24-22-15-28(40-20(5)35)30-31(41-21(6)36)27(39-19(4)34)13-14-32(30,7)29(22)26(38)16-33(23,24)8/h15,17-18,23-31,37-38H,9-14,16H2,1-8H3/t18-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33+/m0/s1
InChI key： SUIRSZOPEPPNGJ-JGEDILIOSA-N
SMILES： CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](OC(=O)C)[C@H]4[C@@H](OC(=O)C)[C@H](CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)OC(=O)C
Systematic name  (3)：
  • (22R)-5α-コレスタ-7-エン-3β,4β,6α,11α,22-ペンタオール3,4,6-トリアセタート
  • (1R,3aR,5S,5aS,6R,7S,9aR,9bR,10R,11aR)-6,7-ビス(アセチルオキシ)-10-ヒドロキシ-1-[(2S,3R)-3-ヒドロキシ-6-メチルヘプタン-2-イル]-9a,11a-ジメチル-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5-イル アセタート
  • (1R,3aR,5S,5aS,6R,7S,9aR,9bR,10R,11aR)-6,7-bis(acetyloxy)-10-hydroxy-1-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl acetate
Other name (5)：
  • (22R)-5α-Cholest-7-ene-3β,4β,6α,11α,22-pentol 3,4,6-triacetate
  • アゴステロール
  • Agosterol
  • アゴステロールA
  • Agosterol A
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