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113973-31-2

113973-31-2 | Sarpagan-16-carboxylic acid, 17-hydroxy-, methyl ester, (19Z)-

CAS No: 113973-31-2 Catalog No: AG000A88 MDL No:MFCD17214787

Product Description

Catalog Number:
AG000A88
Chemical Name:
Sarpagan-16-carboxylic acid, 17-hydroxy-, methyl ester, (19Z)-
CAS Number:
113973-31-2
MDL Number:
MFCD17214787
IUPAC Name:
methyl (1S,12S,13S,15Z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
InChI:
InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3+/t15?,17-,18-,21-/m0/s1
InChI Key:
RCEFXZXHYFOPIE-QWUJITJKSA-N

Properties

Complexity:
635  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
352.179g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
352.434g/mol
Monoisotopic Mass:
352.179g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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