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71781-46-9 | methyl 4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
CAS No: 71781-46-9 Catalog No: AG01FP5E MDL No:
Product Description
Catalog Number:
AG01FP5E
Chemical Name:
methyl 4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
CAS Number:
71781-46-9
IUPAC Name:
methyl 4-[(5R,8R,9R,10S,13R,14S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChI:
InChI=1S/C31H56O4Si/c1-20(10-13-27(33)34-7)23-11-12-24-28-25(15-17-31(23,24)6)30(5)16-14-22(18-21(30)19-26(28)32)35-36(8,9)29(2,3)4/h20-26,28,32H,10-19H2,1-9H3/t20?,21-,22?,23?,24-,25+,26?,28-,30-,31+/m0/s1
InChI Key:
XFDOVQPSOPEMRW-ZOHKUPEVSA-N
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
520.395g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
520.87g/mol
Monoisotopic Mass:
520.395g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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