Chem
J-GLOBAL ID：200907017575695310   Nikkaji number：J2.611.695C

CTX3C-ABCDE

(2Z,5S,6R,7R,8S,9R,11S,12R,13Z,15S,16R,18Z,20S,21R)-1,6:5,9:8,12:11,16:15,21-ペンタエポキシドコサン-2,13,18-トリエン-7,20,22-トリオール
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： C22H30O8
Molecular formula furigana： C22-H30-O8
Molecular weight： 422.474
InChI： InChI=1S/C22H30O8/c23-11-19-12(24)4-3-6-13-14(28-19)7-8-15-17(27-13)10-18-22(30-15)20(25)21-16(29-18)5-1-2-9-26-21/h1-4,7-8,12-25H,5-6,9-11H2/b4-3-/t12-,13+,14-,15+,16-,17-,18+,19+,20+,21-,22+/m0/s1
InChI key： VDRIXSJOPKVWKM-HXGIDPQASA-N
SMILES： OC[C@H]1O[C@H]2C=C[C@H]3O[C@@H]4[C@@H](C[C@@H]3O[C@@H]2CC=C[C@@H]1O)O[C@H]1CC=CCO[C@@H]1[C@H]4O
Systematic name  (3)：
  • (2Z,5S,6R,7R,8S,9R,11S,12R,13Z,15S,16R,18Z,20S,21R)-1,6:5,9:8,12:11,16:15,21-ペンタエポキシドコサン-2,13,18-トリエン-7,20,22-トリオール
  • (1R,3S,4R,5R,11S,13R,15S,17R,19Z,21S,22R,24S)-22-(ヒドロキシメチル)-2,6,12,16,23-ペンタオキサペンタシクロ[13.11.0.03,13.05,11.017,24]ヘキサコサ-8,19,25-トリエン-4,21-ジオール
  • (1R,3S,4R,5R,11S,13R,15S,17R,19Z,21S,22R,24S)-22-(hydroxymethyl)-2,6,12,16,23-pentaoxapentacyclo[13.11.0.03,13.05,11.017,24]hexacosa-8,19,25-triene-4,21-diol
Other name (2)：
  • (2Z,5S,6R,7R,8S,9R,11S,12R,13Z,15S,16R,18Z,20S,21R)-1,6:5,9:8,12:11,16:15,21-Pentaepoxydocosane-2,13,18-triene-7,20,22-triol
  • CTX3C-ABCDE
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