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16711-91-4 | 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3-hydroxy-11-oxo-, (3α,4α,8α,9β,13α,14β,16β,17Z)-
CAS No: 16711-91-4 Catalog No: AG001X5J MDL No:
Product Description
Catalog Number:
AG001X5J
Chemical Name:
29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3-hydroxy-11-oxo-, (3α,4α,8α,9β,13α,14β,16β,17Z)-
CAS Number:
16711-91-4
IUPAC Name:
(2Z)-2-[(3R,4S,5S,8S,9S,10S,13R,14S,16R)-16-acetyloxy-3-hydroxy-4,8,10,14-tetramethyl-11-oxo-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
InChI:
InChI=1S/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,25+,27-,29-,30-,31-/m0/s1
InChI Key:
RLYFYROONDDGHK-IETRILBDSA-N
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
1
Exact Mass:
514.329g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
514.703g/mol
Monoisotopic Mass:
514.329g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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