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CAS 133585-55-4

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Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate

Description:
The chemical substance known as Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate, with the CAS number 133585-55-4, is a complex organic compound characterized by its intricate molecular structure, which includes multiple stereocenters and functional groups. This substance features a dodecahydro framework, indicating a saturated cyclic structure, along with various substituents such as acetoxy groups and a furan moiety, which contribute to its chemical reactivity and potential biological activity. The presence of a methylene bridge and a ketone functionality suggests it may participate in various chemical reactions, including esterification and oxidation. Its stereochemistry, denoted by the specific configuration at multiple chiral centers, may influence its pharmacological properties, making it of interest in medicinal chemistry. Overall, this compound exemplifies the complexity often found in natural products and synthetic organic molecules.
Formula:C31H40O11
InChI:InChI=1S/C31H40O11/c1-15-19-11-23(40-17(3)33)30(7)26(18-9-10-38-14-18)41-27(36)25(35)31(15,30)42-22-13-21(39-16(2)32)28(4,5)20(29(19,22)6)12-24(34)37-8/h9-10,14,19-23,25-26,35H,1,11-13H2,2-8H3/t19-,20-,21-,22-,23-,25+,26-,29+,30-,31+/m0/s1
InChI key:InChIKey=FPZCLGWPFTXULY-AAZWCSCHSA-N
SMILES:C[C@]12[C@@]3(C(=C)[C@](C[C@@H]1OC(C)=O)([C@@]4(C)[C@@](O3)(C[C@H](OC(C)=O)C(C)(C)[C@@H]4CC(OC)=O)[H])[H])[C@H](O)C(=O)O[C@H]2C=5C=COC5
Synonyms:
  • Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate
  • D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 3,12-bis(acetyloxy)-1,14:21,23-diepoxy-15-hydroxy-4,4-dimethyl-16-oxo-, methyl ester, (1α,3β,5β,12α,13α,14β,15β,17aα)-
  • Sandoricin
  • 7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid, 5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-, methyl ester, (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-
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