Chem
J-GLOBAL ID：200907000649967180   Nikkaji number：J2.008.938E

(2S)-2-Ethyl-4,5β,11-trimethyl-6α-(2,3,6-trideoxy-β-D-threo-hexopyranosyloxy)-9bβ-hydroxy-10-methoxy-2α,1-propeno-2,4aβ,5,6,8,9b-hexahydro-1H-indeno[7,1-bc]azepine-8,12-dione

(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-ヒドロキシ-10-メトキシ-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
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： C27H35NO7
Molecular formula furigana： C27-H35-N-O7
Molecular weight： 485.577
InChI： InChI=1S/C27H35NO7/c1-7-26-12-13(2)22-14(3)23(35-21-9-8-19(30)16(5)34-21)18-10-17(29)11-20(27(18,22)32)28(26)25(31)15(4)24(26)33-6/h10-12,14,16,19,21-23,30,32H,7-9H2,1-6H3/t14-,16-,19-,21+,22-,23+,26+,27+/m1/s1
InChI key： IBHHEMDZULZBBK-OULWDBEUSA-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(=C2OC)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-ヒドロキシ-10-メトキシ-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-16-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}-5-メトキシ-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-16-hydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-5-methoxy-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 (1)：
  • (2S)-2-Ethyl-4,5β,11-trimethyl-6α-(2,3,6-trideoxy-β-D-threo-hexopyranosyloxy)-9bβ-hydroxy-10-methoxy-2α,1-propeno-2,4aβ,5,6,8,9b-hexahydro-1H-indeno[7,1-bc]azepine-8,12-dione
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