Chem
J-GLOBAL ID：200907022365944419   Nikkaji number：J1.944.505D

Tetrapetalone A

テトラペタロン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： C26H33NO7
Molecular formula furigana： C26-H33-N-O7
Molecular weight： 471.550
InChI： InChI=1S/C26H33NO7/c1-6-25-11-12(2)21-13(3)22(34-20-8-7-18(29)15(5)33-20)17-9-16(28)10-19(26(17,21)32)27(25)24(31)14(4)23(25)30/h9-11,13,15,18,20-22,29-30,32H,6-8H2,1-5H3/t13-,15-,18-,20+,21-,22+,25+,26+/m1/s1
InChI key： CJCXHCWOVXTTIA-RIHYRCPASA-N
SMILES： CC[C@@]12C=C(C)[C@@H]3[C@@H](C)[C@H](O[C@H]4CC[C@@H](O)[C@@H](C)O4)C4=CC(=O)C=C(N1C(=O)C(=C2O)C)[C@]34O
Systematic name  (3)：
  • (2S)-2-エチル-4,5β,11-トリメチル-6α-(2,3,6-トリデオキシ-β-D-threo-ヘキソピラノシルオキシ)-9bβ,10-ジヒドロキシ-2α,1-プロペノ-2,4aβ,5,6,8,9b-ヘキサヒドロ-1H-インデノ[7,1-bc]アゼピン-8,12-ジオン
  • (6S,9S,10R,11S,16S)-6-エチル-5,16-ジヒドロキシ-11-{[(2R,5R,6R)-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4,8,10-トリメチル-2-アザテトラシクロ[7.6.1.02,6.012,16]ヘキサデカ-1(15),4,7,12-テトラエン-3,14-ジオン
  • (6S,9S,10R,11S,16S)-6-ethyl-5,16-dihydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-4,8,10-trimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),4,7,12-tetraene-3,14-dione
Other name (3)：
  • (2S)-2-Ethyl-4,5β,11-trimethyl-6α-(2,3,6-trideoxy-β-D-threo-hexopyranosyloxy)-9bβ,10-dihydroxy-2α,1-propeno-2,4aβ,5,6,8,9b-hexahydro-1H-indeno[7,1-bc]azepine-8,12-dione
  • テトラペタロンA
  • Tetrapetalone A
Thsaurus map：
Thesaurus Map

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