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1159579-44-8 | 19-Norpregn-5(10)-ene-4-acetic acid, 3-(1,1-dimethyl-2-oxoethyl)-4,8,9,20-tetramethyl-, (3α,4β)-
CAS No: 1159579-44-8 Catalog No: AG000H7O MDL No:MFCD20260373
Product Description
Catalog Number:
AG000H7O
Chemical Name:
19-Norpregn-5(10)-ene-4-acetic acid, 3-(1,1-dimethyl-2-oxoethyl)-4,8,9,20-tetramethyl-, (3α,4β)-
CAS Number:
1159579-44-8
MDL Number:
MFCD20260373
IUPAC Name:
2-[(3R,4S,8S,9S,13R,14R,17R)-4,8,9,13-tetramethyl-3-(2-methyl-1-oxopropan-2-yl)-17-propan-2-yl-2,3,6,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetic acid
InChI:
InChI=1S/C30H48O3/c1-19(2)20-9-12-24-27(20,5)15-16-29(7)22-10-11-23(26(3,4)18-31)28(6,17-25(32)33)21(22)13-14-30(24,29)8/h18-20,23-24H,9-17H2,1-8H3,(H,32,33)/t20-,23+,24-,27-,28-,29-,30+/m1/s1
InChI Key:
WODHWLGTVYKRQF-PWWKQHFHSA-N
Properties
Complexity:
868
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
456.36g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
456.711g/mol
Monoisotopic Mass:
456.36g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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