Chem
J-GLOBAL ID：200907008672232229   Nikkaji number：J82.297C

Nomilin

ノミリン
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： C28H34O9
Molecular formula furigana： C28-H34-O9
Molecular weight： 514.571
InChI： InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19?,21+,22-,25+,26-,27+,28-/m1/s1
InChI key： KPDOJFFZKAUIOE-BIYZDVJRSA-N
SMILES： CC(=O)OC1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]12C
Systematic name  (3)：
  • 1-(アセチルオキシ)-1,2-ジヒドロオバクン酸ε-ラクトン
  • (1R,2R,4S,7S,8S,11R,12R,18R)-7-(フラン-3-イル)-1,8,12,17,17-ペンタメチル-5,15,20-トリオキソ-3,6,16-トリオキサペンタシクロ[9.9.0.02,4.02,8.012,18]イコサン-13-イル アセタート
  • (1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl acetate
Other name (3)：
  • ノミリン
  • Nomilin
  • 1-(Acetyloxy)-1,2-dihydroobacunoic acid ε-lactone
CAS registry number： 1063-77-0
KEGG COMPOUND： C08773
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