Chem
J-GLOBAL ID：200907008441413930   Nikkaji number：J2.008.937G

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

(2S)-2-エチル-4,5β,11,11-テトラメチル-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-2α,1-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
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)21-14(3)22(35-20-9-8-18(30)15(4)34-20)17-10-16(29)11-19(27(17,21)33)28(26)24(32)25(5,6)23(26)31/h10-12,14-15,18,20-22,30,33H,7-9H2,1-6H3/t14-,15-,18-,20+,21-,22+,26+,27+/m1/s1
InChI key： BRDVIOKLNAMVCS-QDJJKVELSA-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)(C)C2=O)[C@]34O
Systematic name  (3)：
  • (2S)-2-エチル-4,5β,11,11-テトラメチル-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-2α,1-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
  • (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}-4,4,8,10-テトラメチル-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
  • (6S,9S,10R,11S,16S)-6-ethyl-16-hydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-4,4,8,10-tetramethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),7,12-triene-3,5,14-trione
Other name (1)：
  • (2S)-2-Ethyl-4,5β,11,11-tetramethyl-6α-(2,3,6-trideoxy-β-D-threo-hexopyranosyloxy)-9bβ-hydroxy-2α,1-propano-2,4aβ,5,6,8,9b-hexahydro-1H-indeno[7,1-bc]azepine-8,10,12-trione
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