Chemical Compound

(3S,3aR,4R,4 aS,5 R,7 S,7aR,9 aS)-5 -Hydroxy-3-methoxy-7a-methyl-8 -methylene-1 ,3,3a,5,5 ,6,6 ,7,7 ,7a,8 ,9 ,9 a-tridecahydrospiro[isobenzofuran-4(1H),4 (3 H)-[7,9a]methanocyclohepta[c]pyran]-1 ,9 (4 aH)-dione

CAS Registry Number 66548-01-4
(3S,3aR,4R,4   aS,5   R,7   S,7aR,9   aS)-5   -Hydroxy-3-methoxy-7a-methyl-8   -methylene-1   ,3,3a,5,5   ,6,6   ,7,7   ,7a,8   ,9   ,9   a-tridecahydrospiro[isobenzofuran-4(1H),4   (3   H)-[7,9a]methanocyclohepta[c]pyran]-1   ,9   (4   aH)-dione 结构式
Primary record

(3S,3aR,4R,4 aS,5 R,7 S,7aR,9 aS)-5 -Hydroxy-3-methoxy-7a-methyl-8 -methylene-1 ,3,3a,5,5 ,6,6 ,7,7 ,7a,8 ,9 ,9 a-tridecahydrospiro[isobenzofuran-4(1H),4 (3 H)-[7,9a]methanocyclohepta[c]pyran]-1 ,9 (4 aH)-dione

库存
8,205 克
纯度
99.5 %
CAS
66548-01-4

化合物标识与属性

CAS
66548-01-4
PubChem CID
21575185
SMILES
C[C@@]12CCC[C@@]3([C@@H]1[C@H](OC2)OC)COC(=O)[C@]45[C@H]3[C@@H](C[C@H](C4)C(=C)C5=O)O
Canonical SMILES
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@H](OC)[C@H]21)COC3=O

名称与同义词

  • angustifolin
  • Augustifolin
  • Angustifolin[secokaurane]
  • RefChem:112749
  • CHEMBL517598
  • orb1984227
  • SCHEMBL29462664
  • ZINC40393196
  • 66548-01-4
  • AKOS040761389
  • FS-7621
  • J835.756K
  • CS-0149059
  • (1'S,3S,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione
  • (1'S,3S,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidene-hexahydro-1H-3'-oxaspiro[2-benzofuran-4,5'-tricyclo[7.2.1.01,6]dodecane]-2',11'-dione
  • (1'S,3S,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro(1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo(7.2.1.01,6)dodecane)-2',11'-dione
  • (3S,3aR,4R,4 aS,5 R,7 S,7aR,9 aS)-5 -Hydroxy-3-methoxy-7a-methyl-8 -methylene-1 ,3,3a,5,5 ,6,6 ,7,7 ,7a,8 ,9 ,9 a-tridecahydrospiro[isobenzofuran-4(1H),4 (3 H)-[7,9a]methanocyclohepta[c]pyran]-1 ,9 (4 aH)-dione
  • (6S)-6-Methoxy-15-oxo-11alpha,20-dihydroxy-6,18-epoxy-6,7-secokaura-16-ene-7-oic acid 7,20-lactone
  • Spiro[isobenzofuran-4(1H),4'(3'H)-[1H-7,9a]methanocyclohepta[c]pyran]-1',9'(4'aH)-dione, decahydro-5'-hydroxy-3-methoxy-7a-methyl-8'-methylene-, [4'R-[4'.alpha.(3S*,3aR*,7aR*),4'a.alpha.,5'.beta.,7'.beta.,9'a.beta.]]-