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72263-05-9 | Conglobatin
CAS No: 72263-05-9 Catalog No: AG005IG9 MDL No:
Product Description
Catalog Number:
AG005IG9
Chemical Name:
Conglobatin
CAS Number:
72263-05-9
Molecular Formula:
C28H38N2O6
Molecular Weight:
498.6111
IUPAC Name:
(3Z,5R,7S,8S,11Z,13R,15S,16S)-3,5,7,11,13,15-hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
InChI:
InChI=1S/C28H38N2O6/c1-17-7-19(3)25(11-23-13-29-15-33-23)35-28(32)22(6)10-18(2)8-20(4)26(12-24-14-30-16-34-24)36-27(31)21(5)9-17/h9-10,13-20,25-26H,7-8,11-12H2,1-6H3/b21-9-,22-10-/t17-,18-,19+,20+,25+,26+/m1/s1
InChI Key:
LAJRJVDLKYGLOO-NLISZJEWSA-N
SMILES:
CC1CC(C)C(Cc2cnco2)OC(=O)C(=CC(CC(C(OC(=O)C(=C1)C)Cc1cnco1)C)C)C
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
2
Exact Mass:
498.273g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.62g/mol
Monoisotopic Mass:
498.273g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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