Chem
J-GLOBAL ID：200907062428361925   Nikkaji number：J1.998.475C

Tetrapetalone C

テトラペタロン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： C26H33NO8
Molecular formula furigana： C26-H33-N-O8
Molecular weight： 487.549
InChI： InChI=1S/C26H33NO8/c1-6-25-11-12(2)20-13(3)21(35-19-8-7-17(29)14(4)34-19)16-9-15(28)10-18(26(16,20)33)27(25)23(31)24(5,32)22(25)30/h9-11,13-14,17,19-21,29,32-33H,6-8H2,1-5H3/t13-,14-,17-,19+,20-,21+,24-,25+,26+/m1/s1
InChI key： YPOBBZYXYSNZKF-KAWSAFBHSA-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@](C)(O)C2=O)[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,11β-ジヒドロキシ-1,2α-プロパノ-2,4aβ,5,6,8,9b-ヘキサヒドロ-1H-インデノ[7,1-bc]アゼピン-8,10,12-トリオン
  • (4R,6S,9S,10R,11S,16S)-6-エチル-4,16-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),7,12-トリエン-3,5,14-トリオン
  • (4R,6S,9S,10R,11S,16S)-6-ethyl-4,16-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),7,12-triene-3,5,14-trione
Other name (3)：
  • (2S)-2-Ethyl-4,5β,11-trimethyl-6α-(2,3,6-trideoxy-β-D-threo-hexopyranosyloxy)-9bβ,11β-dihydroxy-1,2α-propano-2,4aβ,5,6,8,9b-hexahydro-1H-indeno[7,1-bc]azepine-8,10,12-trione
  • テトラペタロンC
  • Tetrapetalone C
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