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A 17002 C

CAT: 0013-GTR19224093-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224093-01Size:100 mg
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Description
A 17002 C is a madumycin I analog and a metabolite of Actinoplanes strains, structurally similar to virginiamycin factor M. It serves as a research tool in microbiology for studying streptogramin antibiotics, with applications in investigating bacterial resistance mechanisms and antibiotic biosynthesis pathways in vitro.
CAS Number
71843-98-6
Smiles
CC (C) C1OC (=O) C (C) NC (=O) c2coc (CC (O) CCC=C (C) C=CCNC (=O) C=CC1C) n2
Molecular Formula
C26H37N3O6
Molecular Weight
487.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A 17002 C

structure

CAS Number71843-98-6
PubChem CID134687173
IUPAC Name(4R,7R,8R,9E,14E,16E,20R)-20-hydroxy-4,8,16-trimethyl-7-propan-2-yl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione
Molecular FormulaC26H37N3O6
Molecular Weight487.6
XLogP3.5
Topological Polar Surface Area131
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count35
Formal Charge0
Complexity822
SMILES
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/CC[C@H](CC2=NC(=CO2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)/C
InChI
InChI=1S/C26H37N3O6/c1-16(2)24-18(4)11-12-22(31)27-13-7-9-17(3)8-6-10-20(30)14-23-29-21(15-34-23)25(32)28-19(5)26(33)35-24/h7-9,11-12,15-16,18-20,24,30H,6,10,13-14H2,1-5H3,(H,27,31)(H,28,32)/b9-7+,12-11+,17-8+/t18-,19-,20-,24-/m1/s1
InChIKey
HYYZDUUXSSRJQZ-QHWFPKQVSA-N
Chemical Structure
2D Structure
2D structure of A 17002 C
CAS: 71843-98-6
CID: 134687173
Formula: C26H37N3O6
MW: 487.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.6
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass487.26823591
Monoisotopic Mass487.26823591
Topological Polar Surface Area131 Ų
Heavy Atom Count35
Formal Charge0
Complexity822
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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