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(3R,5R,7S,10S,13R,17R)-17-[(2R)-2-Butanyl]-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
[CAS# 80724-93-2]

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CAS#: 80724-93-2
Product: (3R,5R,7S,10S,13R,17R)-17-[(2R)-2-Butanyl]-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
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Identification
Name (3R,5R,7S,10S,13R,17R)-17-[(2R)-2-Butanyl]-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Synonyms Chenooxazoline; Ursodeoxyoxazoline
Molecular Structure CAS#: 80724-93-2, (3R,5R,7S,10S,13R,17R)-17-[(2R)-2-Butanyl]-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Molecular Formula C28H47NO3
Molecular Weight 445.68
CAS Registry Number 80724-93-2
SMILES N\1=C(\OCC/1(C)C)[C@]3(O)C[C@H]4C[C@H](O)C2C5CC[C@H]([C@H](C)CC)[C@@]5(C)CCC2[C@@]4(C)CC3
InChI 1S/C28H47NO3/c1-7-17(2)19-8-9-20-23-21(10-11-27(19,20)6)26(5)12-13-28(31,15-18(26)14-22(23)30)24-29-25(3,4)16-32-24/h17-23,30-31H,7-16H2,1-6H3/t17-,18-,19-,20?,21?,22+,23?,26+,27-,28-/m1/s1
InChIKey WSLTVABVMRHQJH-YHVCFSJVSA-N
Properties
Density 1.23g/cm3 (Cal.)
Boiling point 537.322°C at 760 mmHg (Cal.)
Flash point 278.763°C (Cal.)
Market Analysis Reports
List of Reports Available for (3R,5R,7S,10S,13R,17R)-17-[(2R)-2-Butanyl]-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
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