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Chemical structure of Ansatrienin A

GC42815

Ansatrienin A

Also known as [(5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate

Ansatrienin A is an ansamycin antibiotic and antifungal agent first isolated from S

ChemicalCAS82189-03-5MW636.8FormulaC36H48N2O8
CAS number
82189-03-5
Molecular weight
636.8
Formula
C36H48N2O8
Solubility
DMF： soluble,DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
WWUVMHRJRCRFSL-UOZMSBJPSA-N
Catalogue number
GC42815
Brand
GLPBIO
Computed properties PubChem CID 5282069 · XLogP 4.5 · TPSA 148 Ų · H-bond donors 3
XLogP
4.5
TPSA
148 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
46

SMILES C[C@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=O)C=C(C2=O)CC/C=C(\[C@@H]1O)/C)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3

Computed descriptors from PubChem (CID 5282069), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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