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123043-54-9 | Kaur-16-en-15-one, 1,3,7,11-tetrakis(acetyloxy)-12-hydroxy-, (1α,3β,7β,11β,12α)- (9CI)
CAS No: 123043-54-9 Catalog No: AG000JZH MDL No:MFCD20260645
Product Description
Catalog Number:
AG000JZH
Chemical Name:
Kaur-16-en-15-one, 1,3,7,11-tetrakis(acetyloxy)-12-hydroxy-, (1α,3β,7β,11β,12α)- (9CI)
CAS Number:
123043-54-9
MDL Number:
MFCD20260645
IUPAC Name:
[(1R,2S,4R,6S,8S,9R,10S,11R,12R,13R)-6,8,11-triacetyloxy-12-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
InChI:
InChI=1S/C28H38O10/c1-12-17-11-28(25(12)34)21(37-15(4)31)9-18-26(6,7)19(35-13(2)29)10-20(36-14(3)30)27(18,8)24(28)23(22(17)33)38-16(5)32/h17-24,33H,1,9-11H2,2-8H3/t17-,18-,19+,20+,21+,22-,23+,24+,27+,28+/m1/s1
InChI Key:
UHAGZLPOLNCLEQ-LZHSZMFSSA-N
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
534.246g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
534.602g/mol
Monoisotopic Mass:
534.246g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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