Chem
J-GLOBAL ID：200907005907353330   Nikkaji number：J1.245.770G

Yonarasterol E

ヨナラステロールE
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： C28H44O4
Molecular formula furigana： C28-H44-O4
Molecular weight： 444.656
InChI： InChI=1S/C28H44O4/c1-15(2)16(3)7-8-17(4)19-9-10-20-18-13-23(31)28-24(32-28)12-11-22(30)27(28,6)25(18)21(29)14-26(19,20)5/h11-12,15-21,23-25,29,31H,7-10,13-14H2,1-6H3/t16-,17+,18-,19+,20-,21+,23+,24-,25+,26+,27+,28-/m0/s1
InChI key： ROLZEBKYDCJBRI-NAPGSJKISA-N
SMILES： CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45O[C@H]4C=CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@]12C
Systematic name  (3)：
  • 4β,5β-エポキシ-6β,11α-ジヒドロキシ-5β-エルゴスタ-2-エン-1-オン
  • (1S,2R,6S,8S,9R,11S,12S,15R,16R,18R)-15-[(2R,5S)-5,6-ジメチルヘプタン-2-イル]-9,18-ジヒドロキシ-2,16-ジメチル-7-オキサペンタシクロ[9.7.0.02,8.06,8.012,16]オクタデカ-4-エン-3-オン
  • (1S,2R,6S,8S,9R,11S,12S,15R,16R,18R)-15-[(2R,5S)-5,6-dimethylheptan-2-yl]-9,18-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-en-3-one
Other name (3)：
  • 4β,5β-Epoxy-6β,11α-dihydroxy-5β-ergost-2-en-1-one
  • ヨナラステロールE
  • Yonarasterol E
Thsaurus map：
Thesaurus Map

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