Chem
J-GLOBAL ID：200907096396953614   Nikkaji number：J1.998.476A

Tetrapetalone D

テトラペタロンD
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： C28H35NO10
Molecular formula furigana： C28-H35-N-O10
Molecular weight： 545.585
InChI： InChI=1S/C28H35NO10/c1-12-11-27(15(4)38-16(5)30)24(33)26(6,35)25(34)29(27)20-10-17(31)9-18-23(13(2)22(12)28(18,20)36)39-21-8-7-19(32)14(3)37-21/h9-11,13-15,19,21-23,32,35-36H,7-8H2,1-6H3/t13-,14-,15+,19-,21+,22-,23+,26-,27-,28+/m1/s1
InChI key： UYFGBRLWACYIFF-IEDWAQJWSA-N
SMILES： C[C@H](OC(=O)C)[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)：
  • (2R)-2-[(S)-1-アセトキシエチル]-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
  • (1S)-1-[(4R,6R,9S,10R,11S,16S)-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-3,5,14-トリオキソ-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-6-イル]エチル アセタート
  • (1S)-1-[(4R,6R,9S,10R,11S,16S)-4,16-dihydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-4,8,10-trimethyl-3,5,14-trioxo-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),7,12-trien-6-yl]ethyl acetate
Other name (3)：
  • (2R)-2-[(S)-1-Acetoxyethyl]-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D
  • Tetrapetalone D
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