Chem
J-GLOBAL ID：200907096445181401   Nikkaji number：J2.131.239H

Stylisterol B

スチリステロールB
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： C28H46O4
Molecular formula furigana： C28-H46-O4
Molecular weight： 446.672
InChI： InChI=1S/C28H46O4/c1-17(2)18(3)6-7-19(4)22-8-9-23-26(22,5)12-11-24-27(16-29)13-10-21(30)14-20(27)15-25(31)28(23,24)32/h6-7,15,17-19,21-25,29-32H,8-14,16H2,1-5H3/b7-6+/t18?,19-,21+,22-,23-,24-,25+,26-,27-,28-/m1/s1
InChI key： SYIBODKBOJFRIS-AZEALQJHSA-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(CO)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,19-テトラオール
  • (1R,3aR,3bR,4S,7S,9aS,9bR,11aR)-1-[(2R,3E)-5,6-ジメチルヘプタ-3-エン-2-イル]-9a-(ヒドロキシメチル)-11a-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,9aS,9bR,11aR)-1-[(2R,3E)-5,6-dimethylhept-3-en-2-yl]-9a-(hydroxymethyl)-11a-methyl-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,19-tetrol
  • スチリステロールB
  • Stylisterol B
KEGG COMPOUND： C14158
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