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Details

Stereochemistry ABSOLUTE
Molecular Formula C52H81NO14
Molecular Weight 944.1978
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 19-O-Desmethyl everolimus

SMILES

CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](O)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OCCO

InChI

InChIKey=OPUUJJJBVRXMRI-KNIVZCBZSA-N
InChI=1S/C52H81NO14/c1-31-15-11-10-12-16-32(2)43(63-8)29-39-20-18-37(7)52(62,67-39)49(59)50(60)53-22-14-13-17-40(53)51(61)66-44(34(4)27-38-19-21-42(65-24-23-54)45(28-38)64-9)30-41(55)33(3)26-36(6)47(57)48(58)46(56)35(5)25-31/h10-12,15-16,26,31,33-35,37-40,42-45,47-48,54,57-58,62H,13-14,17-25,27-30H2,1-9H3/b12-10+,15-11+,32-16+,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,42-,43+,44+,45-,47-,48+,52-/m1/s1

HIDE SMILES / InChI

Molecular Formula C52H81NO14
Molecular Weight 944.1978
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:26:42 GMT 2025
Edited
by admin
on Tue Apr 01 16:26:42 GMT 2025
Record UNII
MEE9DQX8GB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
19-O-Desmethyl everolimus
Common Name English
EVEROLIMUS IMPURITY C [EP IMPURITY]
Preferred Name English
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18,19-trihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-30-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0<SUP>4,9</SUP>]hexatriaco
Systematic Name English
Code System Code Type Description
FDA UNII
MEE9DQX8GB
Created by admin on Tue Apr 01 16:26:42 GMT 2025 , Edited by admin on Tue Apr 01 16:26:42 GMT 2025
PRIMARY
PUBCHEM
171389982
Created by admin on Tue Apr 01 16:26:42 GMT 2025 , Edited by admin on Tue Apr 01 16:26:42 GMT 2025
PRIMARY
Related Record Type Details
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