Chem
J-GLOBAL ID：200907001273316058   Nikkaji number：J2.629.033C

Dendronpholide I

デンドロンホリドI
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： C22H36O8
Molecular formula furigana： C22-H36-O8
Molecular weight： 428.522
InChI： InChI=1S/C22H36O8/c1-13(19(25)26)15-6-9-21(4,28)17-8-11-22(5,30-17)18(29-14(2)23)7-10-20(3,27)16(24)12-15/h15-18,24,27-28H,1,6-12H2,2-5H3,(H,25,26)/t15-,16-,17+,18+,20+,21-,22-/m1/s1
InChI key： INBOQUCRMWYRMZ-KLCBCZMCSA-N
SMILES： CC(=O)O[C@H]1CC[C@](C)(O)[C@H](O)C[C@@H](CC[C@@](C)(O)[C@@H]2CC[C@@]1(C)O2)C(=C)C(=O)O
Systematic name  (3)：
  • 2-[(1R,4R,5S,8R,9S,12S,13R)-4,12,13-トリヒドロキシ-4,8,12-トリメチル-5,8-エポキシ-9-アセトキシシクロテトラデカン-1-イル]プロペン酸
  • 2-[(1S,2R,5R,7R,8S,11S,12R)-11-(アセチルオキシ)-2,7,8-トリヒドロキシ-2,8,12-トリメチル-15-オキサビシクロ[10.2.1]ペンタデカン-5-イル]プロパ-2-エン酸
  • 2-[(1S,2R,5R,7R,8S,11S,12R)-11-(acetyloxy)-2,7,8-trihydroxy-2,8,12-trimethyl-15-oxabicyclo[10.2.1]pentadecan-5-yl]prop-2-enoic acid
Other name (3)：
  • 2-[(1R,4R,5S,8R,9S,12S,13R)-4,12,13-Trihydroxy-4,8,12-trimethyl-5,8-epoxy-9-acetoxycyclotetradecane-1-yl]propenoic acid
  • デンドロンホリドI
  • Dendronpholide I
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