Resistomycin

CAT: 0127-BUP02686-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02686-04Size:50 mg

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CAS Number

20004-62-0

Synonyms

Geliomycin, Heliomycin

Purity

=98%

Smiles

Cc1cc(O)c2C(=O)c3c(O)cc(O)c4C(=O)C(C)(C)c5cc(O)c1c2c5-c34

Chemical Information

Resistomycin

Resistomycin is a phenanthrol.

CAS Number	20004-62-0
PubChem CID	135430323
IUPAC Name	6,10,14,19-tetrahydroxy-4,9,9-trimethylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),3,5,7,10,13,15,17-octaene-2,12-dione
Molecular Formula	C22H16O6
Molecular Weight	376.4
XLogP	3.6
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	28
Formal Charge	0
Complexity	893

SMILES

CC1=CC(=O)C2=C(C3=C4C5=C2C1=C(C=C5C(C(=C4C(=O)C=C3O)O)(C)C)O)O

InChI

InChI=1S/C22H16O6/c1-7-4-9(23)15-18-13(7)10(24)5-8-14(18)19-16(20(15)27)11(25)6-12(26)17(19)21(28)22(8,2)3/h4-6,24-25,27-28H,1-3H3

InChIKey

MJKDGCARCYPVQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20004-62-0

CID: 135430323

Formula: C22H16O6

MW: 376.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	376.4
XLogP3	3.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	376.09468823
Monoisotopic Mass	376.09468823
Topological Polar Surface Area	115 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	893
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T21820-01	Resistomycin
R1589	Resistomycin (Croceomycin, Geliomycin, Heliomycin, Itamycin, Antibiotic 11-98, Antibiotic A 3733A, Antibiotic X 340)
207382	Resistomycin (Geliomycin, Heliomycin, Itamycin, 3,5,7,10-Tetrahydroxy-1,1,9-trimethyl-1H-benzo-[cd]pyrene-2,6-dione)