Chem
J-GLOBAL ID：200907075230242771   Nikkaji number：J16.650B

Alisol A

アリソール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： C30H50O5
Molecular formula furigana： C30-H50-O5
Molecular weight： 490.725
InChI： InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChI key： HNOSJVWYGXOFRP-UNPOXIGHSA-N
SMILES： C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
Systematic name  (3)：
  • (8α,9β,14β,23S,24R)-11β,23,24,25-テトラヒドロキシ-5α-ダンマラ-13(17)-エン-3-オン
  • (3aR,3bS,5aR,9aS,9bS,10S)-10-ヒドロキシ-3a,3b,6,6,9a-ペンタメチル-1-[(2R,4S,5R)-4,5,6-トリヒドロキシ-6-メチルヘプタン-2-イル]-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-シクロペンタ[a]フェナントレン-7-オン
  • (3aR,3bS,5aR,9aS,9bS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • アリソールA
  • Alisol A
  • (8α,9β,14β,23S,24R)-11β,23,24,25-Tetrahydroxy-5α-dammar-13(17)-en-3-one
CAS registry number： 19885-10-0
KEGG COMPOUND： C17459
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