Chem
J-GLOBAL ID：200907080561331891   Nikkaji number：J14.206I

Makisterone A

マキステロン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： C28H46O7
Molecular formula furigana： C28-H46-O7
Molecular weight： 494.669
InChI： InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
InChI key： IJRBORPEVKCEQD-JMQWOFAPSA-N
SMILES： C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
Systematic name  (4)：
  • (22R,24R)-2β,3β,14,20,22,25-ヘキサヒドロキシ-24-メチル-5β-コレスタ-7-エン-6-オン
  • (22R,24R)-2β,3β,14α,20,22,25-ヘキサヒドロキシ-5β-エルゴスタ-7-エン-6-オン
  • (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-トリヒドロキシ-9a,11a-ジメチル-1-[(2R,3R,5R)-2,3,6-トリヒドロキシ-5,6-ジメチルヘプタン-2-イル]-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-オン
  • (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
Other name (3)：
  • マキステロンA
  • Makisterone A
  • (22R,24R)-2β,3β,14α,20,22,25-Hexahydroxy-5β-ergost-7-en-6-one
CAS registry number： 20137-14-8
KEGG COMPOUND： C16874
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