CAS 82543-18-8

(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxypropyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol

Description:

The chemical substance with the name "(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxypropyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol" and CAS number "82543-18-8" is a complex organic compound characterized by its intricate polycyclic structure and multiple stereocenters, which contribute to its specific three-dimensional configuration. This compound features a dicyclopropane moiety, indicating the presence of cyclopropane rings fused to a phenanthrene-like framework. The presence of hydroxyl groups suggests it has potential for hydrogen bonding, which may influence its solubility and reactivity. The specific stereochemistry (denoted by the S and R designations) indicates the spatial arrangement of atoms, which is crucial for determining the compound's biological activity and interaction with other molecules. Such compounds are often of interest in medicinal chemistry and materials science due to their unique structural properties and potential applications in drug development or as synthetic intermediates.

Formula: C₂₄H₃₈O₄

InChI: InChI=1S/C24H38O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-,24+/m0/s1

InChI key: InChIKey=ZDMZCRYKODGNBZ-FQKVVJEISA-N

SMILES: C[C@@]12[C@]([C@@]3([C@@]4([C@@](C4)([C@@]5(O)[C@@](C)([C@]3(CC1)[H])CC[C@H](O)C5)[H])[H])[H])([C@]6([C@](C6)([C@]2(CCCO)O)[H])[H])[H]

Synonyms:

• 5H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol, octadecahydro-17-(3-hydroxypropyl)-10,13-dimethyl-, (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-
• (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxypropyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol
• 5H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol, octadecahydro-17-(3-hydroxypropyl)-10,13-dimethyl-, [3S-(3α,5α,6β,7β,8α,9β,10α,13α,14β,15β,16β,17α)]-
• 17-(3-Hydroxypropyl)-6β,7β:15β,16β-dimethyleneandrostane-3β,5β,17β-triol
• 17α-(3-Hydroxypropyl)-6β,7β,15β,16β-dimethylene-5β-androstane-3β,5,17β-triol
• 3β,5β-Dihydroxy Drospirenone Ring-opened Alcohol IMpurity
• 3β,5β-Dihydroxy Drospirenone Ring-opened Alcohol Impurity
• Drospirenone Impurity 4