36 research outputs found
(20S)-22-Acetoxymethyl-6β-methoxy-3α,5-dihydro-3′H-cyclopropa[3α,5]-5α-pregnane
In the title steroid derivative, C25H40O3, the fused cyclopropane unit that corresponds to a part of the A ring has a β-configuration and the associated cyclopentane ring an envelope-shaped conformation
(20R,24R,25S)-3α,7α,12α,27-Tetraacetoxy-24,26-epoxy-5β-cholestane
In the title anhydroscymnol tetraacetate, C35H54O9, the fused chair conformation of the cyclohexane A/B ring junction is cis with a 5β-H configuration. The compound has a trimethylene oxide ring at position 24,26 and four acetate groups at the 3α,7α,12α,27 positions
(20S)-22-Iodomethyl-6β-methoxy-3α,5-dihydro-3′H-cyclopropa[3α,5]-5α-pregnane
In the title steroid derivative, C23H37IO, the fused cyclopropane unit that comprises part of the A ring has a β-configuration, and the associated cyclopentane ring has an envelope conformation
(8S,9R,10S,11S,13S,14S,16S,17R)-4,4-Dichloro-16β-methyl-3,20-dioxo-17,21-bis(propanoyloxy)-5β,8β-epoxypregna-1,9-diene
The title compound, C28H34Cl2O7, is a derivative of the glucocorticoid steroid beclomethasone dipropionate. It features an expoxide linkage [angle at oxygen = 96.6 (2)°]. The dichlorocyclohexenone ring adopts an envelope conformation, with the C atom bearing the two Cl substituents representing the flap. The dichloromethyl C atom deviates by 0.471 (4) Å from the plane defined by the other five atoms, whose maximum r.m.s. deviation is 0.04 Å
3-Methyl-5α-cholest-2-ene
In the title cholestane derivative, C28H48 [systematic name: (1S,2S,7R,10R,11R,14R,15R)-2,5,10,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-4-ene], the cyclohexene ring adopts a half-chair conformation. The parent 5α-cholest-2-ene and the equivalent fragment of the title compound are almost superimposable (r.m.s. deviation = 0.033 Å)
17-Deoxoestrone [estra-1,3,5(10)-trien-3-ol]–methanol (3/1)
Three independent molecules of the title estrone derivative and a molecule of methanol comprise the asymmetric unit of the title compound [systematic name: 13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol–methanol (3/1)], 3C18H24O·CH3OH. Two of the estrone molecules exhibit 50:50 disorder (one displays whole-molecule disorder and the other partial disorder in the fused five- and six-membered rings) so that five (partial) molecular conformations are discernable. The conformation of the six-membered ring abutting the aromatic ring is close to a half-chair in all five components. The conformation of the six-membered ring fused to the five-membered ring is based on a chair with varying degrees of distortion ranging from minor to significant. Two distinct conformations are found for the five-membered ring: in four molecules, the five-membered ring is twisted about the bond linking it to the six-membered ring, and in the other, the five-membered ring is an envelope with the quaternary C atom being the flap atom. The crystal packing features O—H⋯O hydrogen bonding whereby the four molecules comprising the asymmetric unit are linked into a supramolecular chain along the b axis
5,22-Stigmastadien-3β-yl p-toluenesulfonate
The asymmetric unit of the title compound {systematic name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl p-toluenesulfonate}, C36H54O3S, comprises two independent molecules that differ significantly in terms of the relative orientations of the peripheral groups; the conformation about the C=C bond of the side chain is E. In the crystal, molecules associate into linear supramolecular chains aligned along the a axis via C—H⋯O interactions
(20R)-24-Bromo-5β-cholane
In the title compound (5S,8R,9R,10R,13S,14S,17R,20R)-24-bromo-5β-cholane, C24H41Br, the fused-chair conformation of the cyclohexane A/B ring junction is cis with a 5β-H configuration
Phenolic Compound, Triterpene and Steroids From The Leaves and Bark of Dysoxylum Macrocarpum
The bark and leaves of Dysoxylum macrocarpum (Meliaceace) yielded four compounds, two compounds from the leaves; 5-hydroxy-7-methoxy-2-methyl-4H-chromen-4-one (Eugenin) DM1, which was new as crystal and squalene DM2, while two more compounds were found from the bark; stigmasterol DM3 and sitosterol DM4.
The present work involves extraction, isolation and purification of compounds by using column chromatography followed by preparative TLC. Structural elucidation has been done through several spectroscopic methods, notably UV, IR, MS (HRMS, GCMS, and LCMS), 1D, 2D-NMR 1H NMR, 13CNMR, COSY, DEPT, HMQC, HMBC, and single crystal X-ray diffraction analysis
3-Iodo-8β,9α,14α-estra-1,3,5(10)-trien-17-one
In the title compound, C18H21IO, the cyclohexane ring adopts a chair conformation, whereas the cyclopentane ring and the ten-membered tetraline portions each adopt an envelope conformation. For the five-membered ring, the methine C atom deviates by 0.638 (4) Å (r.m.s. of the four other atoms is 0.005 Å) and for the ten-membered ring, the methine C atom constituting the flap deviates by 0.671 (3) Å (r.m.s. of the other nine atoms is 0.066 Å)