Chem
J-GLOBAL ID：200907039578574100   Nikkaji number：J37.117C

Picrasin A

ピクラシンA
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： C26H34O8
Molecular formula furigana： C26-H34-O8
Molecular weight： 474.550
InChI： InChI=1S/C26H34O8/c1-12-6-16(32-5)23(31)25(3)14(12)8-18-26(4)17(9-20(29)34-18)24(2,10-15(27)21(25)26)22(30)13-7-19(28)33-11-13/h6,12-15,17-18,21,27H,7-11H2,1-5H3/t12-,13-,14+,15-,17+,18-,21-,24-,25+,26-/m1/s1
InChI key： BIJFTRIMTHYJOV-QRWZCSJESA-N
SMILES： COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@](C)(C[C@@H](O)[C@@H]([C@@]34C)[C@@]2(C)C1=O)C(=O)[C@H]1COC(=O)C1
Systematic name  (3)：
  • (13α,14β,20R)-7α,11α,21-トリヒドロキシ-2-メトキシ-4α,8-ジメチル-1,17-ジオキソ-24-ノル-16,17-セコ-5α-コラ-2-エン-16,23-二酸γ-ラクトンδ-ラクトン
  • (1S,2S,6S,7S,9R,13R,14R,16R,17S)-16-ヒドロキシ-4-メトキシ-2,6,14,17-テトラメチル-14-[(3R)-5-オキソオキソラン-3-カルボニル]-10-オキサテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-4-エン-3,11-ジオン
  • (1S,2S,6S,7S,9R,13R,14R,16R,17S)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-14-[(3R)-5-oxooxolane-3-carbonyl]-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
Other name (5)：
  • ピクラシンA
  • ニガキラクトンG
  • Picrasin A
  • Nigakilactone G
  • (13α,14β,20R)-7α,11α,21-Trihydroxy-2-methoxy-4α,8-dimethyl-1,17-dioxo-24-nor-16,17-seco-5α-chol-2-ene-16,23-dioic acid γ-lactoneδ-lactone
CAS registry number： 27368-79-2
KEGG COMPOUND： C17049
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM