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Chemical structure of TAN 420C

GC44988

TAN 420C

Also known as [(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-13,20,22-trihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate

TAN 420C is a hydroquinone ansamycin antibiotic originally isolated from Streptomyces

ChemicalCAS91700-91-3MW562.7FormulaC29H42N2O9
CAS number
91700-91-3
Molecular weight
562.7
Formula
C29H42N2O9
Solubility
DMF： soluble,DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
QCXSABHHRSWSID-OOJAHTAHSA-N
Catalogue number
GC44988
Brand
GLPBIO
Computed properties PubChem CID 44559805 · XLogP 2.2 · TPSA 170 Ų · H-bond donors 5
XLogP
2.2
TPSA
170 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
40

SMILES C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=CC(=C2O)[C@@H]1OC)O)/C)OC)OC(=O)N)\C)C)O)OC

Computed descriptors from PubChem (CID 44559805), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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