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16826-83-8 | (1S)-1,4aβ-Dimethyl-6-methoxy-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1β-carbaldehyde
CAS No: 16826-83-8 Catalog No: AG00B5OX MDL No:
Product Description
Catalog Number:
AG00B5OX
Chemical Name:
(1S)-1,4aβ-Dimethyl-6-methoxy-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1β-carbaldehyde
CAS Number:
16826-83-8
IUPAC Name:
6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
InChI:
InChI=1S/C18H24O2/c1-17(12-19)9-4-10-18(2)15-11-14(20-3)7-5-13(15)6-8-16(17)18/h5,7,11-12,16H,4,6,8-10H2,1-3H3
InChI Key:
XFBMUCKBDHHVRE-UHFFFAOYSA-N
NSC Number:
115709
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.388g/mol
Monoisotopic Mass:
272.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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