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2111-98-0 | Curan-20-ol, 1-acetyl-16,17-didehydro- (9CI)
CAS No: 2111-98-0 Catalog No: AG002L6J MDL No:
Product Description
Catalog Number:
AG002L6J
Chemical Name:
Curan-20-ol, 1-acetyl-16,17-didehydro- (9CI)
CAS Number:
2111-98-0
IUPAC Name:
1-[(9S,11R,12R,17S)-12-ethyl-12-hydroxy-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
InChI:
InChI=1S/C21H26N2O2/c1-4-20(25)12-22-10-9-21-15-7-5-6-8-17(15)23(14(3)24)19(21)13(2)16(20)11-18(21)22/h5-8,16,18-19,25H,2,4,9-12H2,1,3H3/t16-,18+,19+,20+,21?/m1/s1
InChI Key:
OHCRVIYCXACEBO-PVGMSYNWSA-N
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
338.199g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.451g/mol
Monoisotopic Mass:
338.199g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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