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14507-49-4 | Gona-2,5(10)-dien-17-ol, 13-ethyl-3-methoxy-, (17β)- (9CI)
CAS No: 14507-49-4 Catalog No: AG001KJT MDL No:
Product Description
Catalog Number:
AG001KJT
Chemical Name:
Gona-2,5(10)-dien-17-ol, 13-ethyl-3-methoxy-, (17β)- (9CI)
CAS Number:
14507-49-4
Molecular Formula:
C20H30O2
Molecular Weight:
302.4510
IUPAC Name:
(8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
InChI:
InChI=1S/C20H30O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-19,21H,3-4,6-12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChI Key:
DKGAZBPXLWEBPI-SLHNCBLASA-N
SMILES:
COC1=CCC2=C(C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)CC
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
302.225g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.458g/mol
Monoisotopic Mass:
302.225g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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