Chem
J-GLOBAL ID：200907027007183475   Nikkaji number：J2.131.238J

Stylisterol A

スチリステロール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： C28H46O3
Molecular formula furigana： C28-H46-O3
Molecular weight： 430.673
InChI： InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-27(22,6)14-12-24-26(5)13-11-21(29)15-20(26)16-25(30)28(23,24)31/h7-8,16-19,21-25,29-31H,9-15H2,1-6H3/b8-7+/t18?,19-,21+,22-,23-,24-,25+,26+,27-,28-/m1/s1
InChI key： BGFRISIFIPOKIE-NSBKTGGPSA-N
SMILES： CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)CC3=C[C@H](O)[C@@]21O
Systematic name  (3)：
  • (22E)-24-メチルコレスタ-5,22-ジエン-3β,7β,8β-トリオール
  • (1R,3aR,3bR,4S,7S,9aR,9bR,11aR)-1-[(2R,3E)-5,6-ジメチルヘプタ-3-エン-2-イル]-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-3b,4,7-トリオール
  • (1R,3aR,3bR,4S,7S,9aR,9bR,11aR)-1-[(2R,3E)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-3b,4,7-triol
Other name (3)：
  • (22E)-24-Methylcholesta-5,22-diene-3β,7β,8β-triol
  • スチリステロールA
  • Stylisterol A
KEGG COMPOUND： C14157
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