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Chemical structure of 28-Epirapamycin

GC60015

28-Epirapamycin

Also known as (1R,9S,12S,15R,18S,19R,21R,23S,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

28-Epirapamycin is an impurity of Rapamycin

ChemicalCAS253431-35-5MW914.17FormulaC51H79NO13
CAS number
253431-35-5
Molecular weight
914.17
Formula
C51H79NO13
InChIKey
QFJCIRLUMZQUOT-OGLZFCPISA-N
Catalogue number
GC60015
Brand
GLPBIO
Computed properties PubChem CID 131668123 · XLogP 6 · TPSA 195 Ų · H-bond donors 3
XLogP
6
TPSA
195 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
65

SMILES C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)C)O)OC)C)C)C)OC

Computed descriptors from PubChem (CID 131668123), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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