 Home > Encyclopedia > [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate

[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate

[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate structure

CAS No:
129990-43-8
Formula:
C28H40O8
Chemical Name:
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Synonyms:
17-acetoxy-6-chloropregna-4,6-diene-20-one-3-O-alpha-arabinofuranoside;CAAF;chlormadinol acetate-3-O-alpha-arabinofuranoside;129990-43-8;CAAF;Chlormadinol acetate-3-O-alpha-arabinofuranoside;DTXSID20926551;17-Acetoxy-6-chloropregna-4,6-diene-20-one-3-O-alpha-arabinofuranoside;(3beta)-17-(Acetyloxy)-3-(alpha-L-arabinofuranosyloxy)pregna-4,6-dien-20-one;17-(Acetyloxy)-3-(alpha-L-arabinofuranosyloxy)pregna-4,6-dien-20-one (3beta)-;[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate;20-Oxo-3-(pentofuranosyloxy)pregna-4,6-dien-17-yl acetate;Pregna-4,6-dien-20-one, 17-(acetyloxy)-3-(alpha-L-arabinofuranosyloxy)-, (3beta)-

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[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate Basic Attributes

Molecular Weight：

504.6 g/mol

Exact Mass：

504.27231823 g/mol

Characteristics

PSA：

123 Å²

Drug Information

MeSH Entry Terms：

17-acetoxy-6-chloropregna-4,6-diene-20-one-3-O-alpha-arabinofuranoside

Computed Properties

Molecular Weight:504.6
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:504.27231823
Monoisotopic Mass:504.27231823
Topological Polar Surface Area:123
Heavy Atom Count:36
Complexity:975
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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