Chem
J-GLOBAL ID：200907009872450537   Nikkaji number：J1.245.767G

Yonarasterol B

ヨナラステロール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： C30H48O5
Molecular formula furigana： C30-H48-O5
Molecular weight： 488.709
InChI： InChI=1S/C30H48O5/c1-17(2)18(3)10-11-19(4)22-12-13-23-21-15-26(35-20(5)31)30(34)14-8-9-25(33)29(30,7)27(21)24(32)16-28(22,23)6/h8-9,17-19,21-24,26-27,32,34H,10-16H2,1-7H3/t18-,19+,21-,22+,23-,24+,26+,27+,28+,29+,30-/m0/s1
InChI key： ZCIRJYYPULPRMB-GUNAJJAHSA-N
SMILES： CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(=O)C)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Systematic name  (3)：
  • 1-オキソ-5α-エルゴスタ-2-エン-5α,6β,11α-トリオール6-アセタート
  • (1R,3aS,3bS,5R,5aR,9aR,9bS,10R,11aR)-1-[(2R,5S)-5,6-ジメチルヘプタン-2-イル]-5a,10-ジヒドロキシ-9a,11a-ジメチル-9-オキソ-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5-イル アセタート
  • (1R,3aS,3bS,5R,5aR,9aR,9bS,10R,11aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-5a,10-dihydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl acetate
Other name (3)：
  • 1-Oxo-5α-ergost-2-ene-5α,6β,11α-triol 6-acetate
  • ヨナラステロールB
  • Yonarasterol B
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