Chem
J-GLOBAL ID：200907095746936363   Nikkaji number：J1.245.768E

Yonarasterol C

ヨナラステロールC
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： C31H48O5
Molecular formula furigana： C31-H48-O5
Molecular weight： 500.720
InChI： InChI=1S/C31H48O5/c1-16(2)17(3)20-13-21(20)18(4)23-10-11-24-22-14-27(36-19(5)32)31(35)12-8-9-26(34)30(31,7)28(22)25(33)15-29(23,24)6/h8-9,16-18,20-25,27-28,33,35H,10-15H2,1-7H3/t17-,18-,20-,21+,22+,23-,24+,25-,27-,28-,29-,30-,31+/m1/s1
InChI key： PDTMSYZMHRSEAH-BUBAHUGGSA-N
SMILES： CC(C)[C@@H](C)[C@H]1C[C@H]1[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)：
  • (22S,23R)-1-オキソ-22,23-メタノ-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)-5a,10-ジヒドロキシ-9a,11a-ジメチル-1-[(1R)-1-[(1S,2R)-2-[(2R)-3-メチルブタン-2-イル]シクロプロピル]エチル]-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)-5a,10-dihydroxy-9a,11a-dimethyl-1-[(1R)-1-[(1S,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-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)：
  • (22S,23R)-1-Oxo-22,23-methano-5α-ergost-2-ene-5α,6β,11α-triol 6-acetate
  • ヨナラステロールC
  • Yonarasterol C
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