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88580-27-2 | O-Deacetylravidomycin
CAS No: 88580-27-2 Catalog No: AG004DIE MDL No:
Product Description
Catalog Number:
AG004DIE
Chemical Name:
O-Deacetylravidomycin
CAS Number:
88580-27-2
Molecular Formula:
C27H26O6
Molecular Weight:
446.4917
IUPAC Name:
4-[(2R,3S,4R,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-8-ethenyl-1-hydroxy-10,12-dimethoxynaphtho[1,2-c]isochromen-6-one
InChI:
InChI=1S/C29H31NO8/c1-7-14-10-17-21(19(11-14)35-5)16-12-20(36-6)23-18(31)9-8-15(22(23)27(16)38-29(17)34)28-26(33)24(30(3)4)25(32)13(2)37-28/h7-13,24-26,28,31-33H,1H2,2-6H3/t13-,24-,25-,26+,28-/m1/s1
InChI Key:
ZHXCTIMNNKVMJM-JSPLCZCHSA-N
SMILES:
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c1c(ccc2O)C1CCCC(O1)C
Properties
Complexity:
870
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
521.205g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
521.566g/mol
Monoisotopic Mass:
521.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Deacetylravidomycin M, a new inhibitor of IL-4 signal transduction, produced by Streptomyces sp. WK-6326. II. Structure elucidation. | The Journal of antibiotics 20010701 |
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