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16391-75-6 | 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-, compd. with 2,2'-iminobis[ethanol] (1:1)
CAS No: 16391-75-6 Catalog No: AG001UJN MDL No:
Product Description
Catalog Number:
AG001UJN
Chemical Name:
29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-, compd. with 2,2'-iminobis[ethanol] (1:1)
CAS Number:
16391-75-6
IUPAC Name:
(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid;2-(2-hydroxyethylamino)ethanol
InChI:
InChI=1S/C31H48O6.C4H11NO2/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;6-3-1-5-2-4-7/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);5-7H,1-4H2/b26-20-;/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-;/m0./s1
InChI Key:
OQZZCXRLEFBPLZ-JCJNLNMISA-N
EC Number:
240-442-3
UNII:
1XKK7J9CT6
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
1
Exact Mass:
621.424g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
621.856g/mol
Monoisotopic Mass:
621.424g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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