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135212-24-7 | 22-phenoxazonoxy-5-cholene-3 beta-ol
CAS No: 135212-24-7 Catalog No: AG00A8LM MDL No:
Product Description
Catalog Number:
AG00A8LM
Chemical Name:
22-phenoxazonoxy-5-cholene-3 beta-ol
CAS Number:
135212-24-7
IUPAC Name:
1-[(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-3-yl]oxy-3,10-dihydrophenoxazin-2-one
InChI:
InChI=1S/C36H47NO4/c1-5-30(41-34-29(39)14-15-32-33(34)37-28-8-6-7-9-31(28)40-32)21(2)25-12-13-26-24-11-10-22-20-23(38)16-18-35(22,3)27(24)17-19-36(25,26)4/h6-10,15,21,23-27,30,37-38H,5,11-14,16-20H2,1-4H3/t21-,23-,24-,25+,26-,27-,30?,35-,36+/m0/s1
InChI Key:
CVZICIUHKUXMCS-BSZLDPMNSA-N
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
557.351g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
557.775g/mol
Monoisotopic Mass:
557.351g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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