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141443-40-5 | Oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl- (9CI)
CAS No: 141443-40-5 Catalog No: AG001GDO MDL No:
Product Description
Catalog Number:
AG001GDO
Chemical Name:
Oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl- (9CI)
CAS Number:
141443-40-5
Molecular Formula:
C32H52O8
Molecular Weight:
564.7505
IUPAC Name:
3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
InChI:
InChI=1S/C32H52O8/c1-5-28-31(38)20-26(34)17-14-16-25(33)19-27(35)21-30(37)23(3)29(36)18-13-11-9-7-6-8-10-12-15-22(2)24(4)40-32(28)39/h6-13,15,18,22-31,33-38H,5,14,16-17,19-21H2,1-4H3
InChI Key:
JJDUHQRKYHRVNV-UHFFFAOYSA-N
SMILES:
CCC1C(O)CC(O)CCCC(O)CC(O)CC(O)C(C)C(O)C=CC=CC=CC=CC=CC(C(OC1=O)C)C
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.366g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
564.76g/mol
Monoisotopic Mass:
564.366g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
10
Undefined Bond Stereocenter Count:
5
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| AB023, novel polyene antibiotics. I. Taxonomy of the producing organism, fermentation and antifungal activity. | The Journal of antibiotics 19930201 |
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