Chem
J-GLOBAL ID：200907054363211014   Nikkaji number：J1.353.865D

Mer-NF8054X

(9S,22R,23S)-3β,5,9,23-テトラヒドロキシ-18,22-シクロ-5β-エルゴスタ-6,8(14)-ジエン-11-オン
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： C28H42O5
Molecular formula furigana： C28-H42-O5
Molecular weight： 458.639
InChI： InChI=1S/C28H42O5/c1-15(2)16(3)24(31)19-13-26-14-23(30)28(33)22(21(26)7-6-20(26)17(19)4)9-11-27(32)12-18(29)8-10-25(27,28)5/h9,11,15-20,24,29,31-33H,6-8,10,12-14H2,1-5H3/t16-,17-,18+,19-,20-,24+,25+,26-,27+,28-/m1/s1
InChI key： MUYUFHKTKLPWIW-LAFOIBJPSA-N
SMILES： CC(C)[C@@H](C)[C@H](O)[C@@H]1C[C@]23CC(=O)[C@]4(O)C(=C2CC[C@@H]3[C@@H]1C)C=C[C@]1(O)C[C@@H](O)CC[C@]41C
Systematic name  (3)：
  • (9S,22R,23S)-3β,5,9,23-テトラヒドロキシ-18,22-シクロ-5β-エルゴスタ-6,8(14)-ジエン-11-オン
  • (5R,6S,7R,9R,12S,13S,16S,18R)-12,16,18-トリヒドロキシ-7-[(1S,2R)-1-ヒドロキシ-2,3-ジメチルブチル]-6,13-ジメチルペンタシクロ[10.8.0.02,9.05,9.013,18]イコサ-1,19-ジエン-11-オン
  • (5R,6S,7R,9R,12S,13S,16S,18R)-12,16,18-trihydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one
Other name (2)：
  • (9S,22R,23S)-3β,5,9,23-Tetrahydroxy-18,22-cyclo-5β-ergosta-6,8(14)-diene-11-one
  • Mer-NF8054X
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