Chem
J-GLOBAL ID：201707005256638244   Nikkaji number：J3.638.561H

(2E,4E,6E)-7-[(1S,6S,11R,11aS)-1,6,7,8,9,10,11,11a-Octahydro-6-methyl-4,12-dioxo-1,11-propano-4H-2,5-dioxa-2H-cyclopentacyclodecene-3-yl]-2,4,6-heptatrienoic acid

グラブラマイシンB
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： C22H26O6
Molecular formula furigana： C22-H26-O6
Molecular weight： 386.444
InChI： InChI=1S/C22H26O6/c1-14-8-6-7-9-15-16(23)12-13-18-20(15)21(22(26)27-14)17(28-18)10-4-2-3-5-11-19(24)25/h2-5,10-11,14-15,18,20H,6-9,12-13H2,1H3,(H,24,25)/b3-2+,10-4+,11-5+/t14-,15-,18-,20+/m0/s1
InChI key： FXWZJHIHNQQRDJ-BZVQOAAHSA-N
SMILES： C[C@H]1CCCC[C@@H]2[C@@H]3[C@H](CCC2=O)OC(=C3C(=O)O1)/C=C/C=C/C=C/C(=O)O
Systematic name  (3)：
  • (2E,4E,6E)-7-[(1S,6S,11R,11aS)-1,6,7,8,9,10,11,11a-オクタヒドロ-6-メチル-4,12-ジオキソ-1,11-プロパノ-4H-2,5-ジオキサ-2H-シクロペンタシクロデセン-3-イル]-2,4,6-ヘプタトリエン酸
  • (2E,4E,6E)-7-[(1R,6S,12S,16S)-6-メチル-8,15-ジオキソ-7,11-ジオキサトリシクロ[7.6.1.012,16]ヘキサデカ-9-エン-10-イル]ヘプタ-2,4,6-トリエン酸
  • (2E,4E,6E)-7-[(1R,6S,12S,16S)-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadec-9-en-10-yl]hepta-2,4,6-trienoic acid
Other name (2)：
  • (2E,4E,6E)-7-[(1S,6S,11R,11aS)-1,6,7,8,9,10,11,11a-Octahydro-6-methyl-4,12-dioxo-1,11-propano-4H-2,5-dioxa-2H-cyclopentacyclodecene-3-yl]-2,4,6-heptatrienoic acid
  • グラブラマイシンB
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