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CAS 604-82-0

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(4aS,4bR,10bS,12aS)-8-hydroxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromen-2-one

Description:
The chemical substance with the name "(4aS,4bR,10bS,12aS)-8-hydroxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromen-2-one" and CAS number 604-82-0 is a complex organic compound characterized by its polycyclic structure, which includes a naphthalene and chromene moiety. This compound features multiple stereocenters, contributing to its specific three-dimensional configuration, which can influence its biological activity and interactions. The presence of a hydroxyl group (-OH) at the 8-position suggests potential for hydrogen bonding, which may enhance solubility in polar solvents and affect its reactivity. The decahydro framework indicates that the compound is fully saturated, which typically results in increased stability compared to unsaturated analogs. Such compounds often exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. Overall, the structural complexity and functional groups present in this compound suggest a diverse range of potential applications in various fields, including pharmaceuticals and organic synthesis.
Formula:C18H22O3
InChI:InChI=1/C18H22O3/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21-18/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChI key:InChIKey=FWJIMKYKNBCAJA-CBZIJGRNSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CCC(=O)O2)[H]
Synonyms:
  • D-Homo-17a-oxaestra-1,3,5(10)-trien-17-one, 3-hydroxy-
  • 2H-Phenanthro[2,1-b]pyran-2-one, 3,4,4a,4b,5,6,10b,11,12,12a-decahydro-8-hydroxy-12a-methyl-, (4aS,4bR,10bS,12aS)-
  • 1-Phenanthrenepropionic acid, 1,2,3,4,4a,9,10,10a-octahydro-2,7-dihydroxy-2-methyl-, δ-lactone
  • 13,17-Secoestra-1,3,5(10)-trien-17-oic acid, 3,13-dihydroxy-, δ-lactone
  • (4aS,4bR,10bS,12aS)-3,4,4a,4b,5,6,10b,11,12,12a-Decahydro-8-hydroxy-12a-methyl-2H-phenanthro[2,1-b]pyran-2-one
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