Chem
J-GLOBAL ID：200907023306860828   Nikkaji number：J842.661I

(18R)-18-[[(S)-2-Methylbutyryl]oxy]-2α,18-epoxy-3-deoxy-18-deacetoxycaryoptinol

(18R)-18-[[(S)-2-メチルブチリル]オキシ]-2α,18-エポキシ-3-デオキシ-18-デアセトキシカリオプチノール
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： C27H38O8
Molecular formula furigana： C27-H38-O8
Molecular weight： 490.593
InChI： InChI=1S/C27H38O8/c1-6-14(2)22(29)35-24-27-19(11-18(33-24)12-26(27)13-31-26)25(5,15(3)9-21(27)32-16(4)28)20-10-17-7-8-30-23(17)34-20/h7-8,14-15,17-21,23-24H,6,9-13H2,1-5H3/t14-,15+,17+,18+,19+,20-,21-,23-,24+,25-,26-,27-/m0/s1
InChI key： BZJWWLQUDLNCGD-KSBUKMJZSA-N
SMILES： CC[C@H](C)C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)([C@@H]4C[C@H]5C=CO[C@H]5O4)[C@H](C)C[C@H](OC(=O)C)[C@]13[C@@]1(CO1)C2
Systematic name  (3)：
  • (18R)-18-[[(S)-2-メチルブチリル]オキシ]-2α,18-エポキシ-3-デオキシ-18-デアセトキシカリオプチノール
  • (1'R,2R,2'S,4'R,5'S,6'R,8'R,11'R)-5'-[(2S,3aS,6aS)-2H,3H,3aH,6aH-フロ[2,3-b]フラン-2-イル]-2'-(アセチルオキシ)-4',5'-ジメチル-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]-11'-イル (2S)-2-メチルブタノアート
  • (1'R,2R,2'S,4'R,5'S,6'R,8'R,11'R)-5'-[(2S,3aS,6aS)-2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl]-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.01,6]dodecan]-11'-yl (2S)-2-methylbutanoate
Other name (1)：
  • (18R)-18-[[(S)-2-Methylbutyryl]oxy]-2α,18-epoxy-3-deoxy-18-deacetoxycaryoptinol
Thsaurus map：
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