Chem
J-GLOBAL ID：200907002404864036   Nikkaji number：J1.086.893I

(5α,8α,9R,10β,18R)-18-Methoxy-16-oxo-2α,18:4α,19:15,16-triepoxyclerodane-6α,7β-diol diacetate

(5α,8α,9R,10β,18R)-18-メトキシ-16-オキソ-2α,18:4α,19:15,16-トリエポキシクレロダン-6α,7β-ジオールジアセタート
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： C25H36O9
Molecular formula furigana： C25-H36-O9
Molecular weight： 480.554
InChI： InChI=1S/C25H36O9/c1-13-19(32-14(2)26)20(33-15(3)27)25-18(23(13,4)8-6-16-7-9-30-21(16)28)10-17(34-22(25)29-5)11-24(25)12-31-24/h13,16-20,22H,6-12H2,1-5H3/t13-,16+,17-,18-,19-,20+,22-,23+,24+,25+/m1/s1
InChI key： HNCNICVYVSEJTQ-YCZWYRPCSA-N
SMILES： CO[C@@H]1O[C@@H]2C[C@@H]3[C@@](C)(CC[C@H]4CCOC4=O)[C@H](C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]13[C@@]1(CO1)C2
Systematic name  (3)：
  • (5α,8α,9R,10β,18R)-18-メトキシ-16-オキソ-2α,18:4α,19:15,16-トリエポキシクレロダン-6α,7β-ジオールジアセタート
  • (1'R,2R,2'R,3'R,4'S,5'R,6'R,8'R,11'R)-2'-(アセチルオキシ)-11'-メトキシ-4',5'-ジメチル-5'-{2-[(3S)-2-オキソオキソラン-3-イル]エチル}-12'-オキサスピロ[オキシラン-2,10'-トリシクロ[6.2.2.01,6]ドデカン]-3'-イル アセタート
  • (1'R,2R,2'R,3'R,4'S,5'R,6'R,8'R,11'R)-2'-(acetyloxy)-11'-methoxy-4',5'-dimethyl-5'-{2-[(3S)-2-oxooxolan-3-yl]ethyl}-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.01,6]dodecan]-3'-yl acetate
Other name (1)：
  • (5α,8α,9R,10β,18R)-18-Methoxy-16-oxo-2α,18:4α,19:15,16-triepoxyclerodane-6α,7β-diol diacetate
Thsaurus map：
Thesaurus Map

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