Chem
J-GLOBAL ID：200907089930967808   Nikkaji number：J2.739.404C

Ecdysone palmitate

エクジソンパルミタート
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： C43H74O7
Molecular formula furigana： C43-H74-O7
Molecular weight： 703.058
InChI： InChI=1S/C43H74O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(47)50-38-28-34-36(45)27-33-32(41(34,5)29-37(38)46)21-25-42(6)31(22-26-43(33,42)49)30(2)35(44)23-24-40(3,4)48/h27,30-32,34-35,37-38,44,46,48-49H,7-26,28-29H2,1-6H3/t30-,31+,32-,34-,35+,37-,38+,41+,42+,43+/m0/s1
InChI key： GLFFUXFTPFZULM-NMEDVGINSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H]2C(=O)C=C3[C@H](CC[C@]4(C)[C@H](CC[C@@]34O)[C@H](C)[C@H](O)CCC(C)(C)O)[C@@]2(C)C[C@@H]1O
Systematic name  (3)：
  • (22R)-2β,14,22,25-テトラヒドロキシ-3β-(パルミトイルオキシ)-5β-コレスタ-7-エン-6-オン
  • (1R,3aS,5aR,7R,8S,9aR,9bR,11aR)-1-[(2S,3R)-3,6-ジヒドロキシ-6-メチルヘプタン-2-イル]-3a,8-ジヒドロキシ-9a,11a-ジメチル-5-オキソ-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル ヘキサデカノアート
  • (1R,3aS,5aR,7R,8S,9aR,9bR,11aR)-1-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-3a,8-dihydroxy-9a,11a-dimethyl-5-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl hexadecanoate
Other name (3)：
  • (22R)-2β,14,22,25-Tetrahydroxy-3β-(palmitoyloxy)-5β-cholesta-7-ene-6-one
  • Ecdysone palmitate
  • エクジソンパルミタート
KEGG COMPOUND： C02681
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