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119264-85-6 | Majusculamide C, 3-[(2S)-2-hydroxy-3-methylbutanoic acid]- (9CI)
CAS No: 119264-85-6 Catalog No: AG000IH6 MDL No:
Product Description
Catalog Number:
AG000IH6
Chemical Name:
Majusculamide C, 3-[(2S)-2-hydroxy-3-methylbutanoic acid]- (9CI)
CAS Number:
119264-85-6
IUPAC Name:
8-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-2,14-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
InChI:
InChI=1S/C49H78N8O12/c1-17-28(7)39-44(63)50-24-36(58)56(14)38(26(3)4)46(65)55(13)35(23-32-19-21-33(68-16)22-20-32)43(62)52-30(9)41(60)49(11,12)48(67)53-31(10)42(61)54-34(18-2)29(8)47(66)69-40(27(5)6)45(64)51-25-37(59)57(39)15/h19-22,26-31,34-35,38-40H,17-18,23-25H2,1-16H3,(H,50,63)(H,51,64)(H,52,62)(H,53,67)(H,54,61)
InChI Key:
NDFBQYCGCBEBOD-UHFFFAOYSA-N
Properties
Complexity:
1850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
970.574g/mol
Formal Charge:
0
Heavy Atom Count:
69
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
971.207g/mol
Monoisotopic Mass:
970.574g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
259A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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