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Details

Stereochemistry ABSOLUTE
Molecular Formula C56H87NO17
Molecular Weight 1046.2886
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 36-HYDROXYL TEMSIROLIMUS

SMILES

C/C/1=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\[C@@](C)(C[C@@]([H])(C)C(=O)[C@@]([H])([C@@]([H])(/C(=C(\[H])/[C@@]([H])(C)C(=O)C[C@@]([H])([C@]([H])(C)C[C@]2([H])CC[C@]([H])([C@@]([H])(C2)OC)OC(=O)C(C)(CO)CO)OC(=O)[C@]3([H])CCCCN3C(=O)C(=O)[C@]4([C@]([H])(C)CC[C@@]([H])(C[C@]1([H])OC)O4)O)/C)O)OC)O

InChI

InChIKey=JKULHACLUIREPW-WNZIFQITSA-N
InChI=1S/C56H87NO17/c1-33-17-13-12-15-23-55(8,67)30-37(5)48(62)49(71-11)47(61)36(4)25-34(2)42(60)29-45(35(3)26-39-20-22-43(46(27-39)70-10)73-53(66)54(7,31-58)32-59)72-52(65)41-18-14-16-24-57(41)51(64)50(63)56(68)38(6)19-21-40(74-56)28-44(33)69-9/h12-13,15,17,23,25,34-35,37-41,43-47,49,58-59,61,67-68H,14,16,18-22,24,26-32H2,1-11H3/b13-12+,23-15+,33-17+,36-25+/t34-,35-,37-,38-,39+,40+,41+,43-,44+,45+,46-,47-,49-,55+,56-/m1/s1

HIDE SMILES / InChI

Molecular Formula C56H87NO17
Molecular Weight 1046.2886
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 Sat Jun 26 10:22:30 UTC 2021
Edited
by admin
on Sat Jun 26 10:22:30 UTC 2021
Record UNII
CJ53D4I5U1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
36-HYDROXYL TEMSIROLIMUS
Common Name English
TEMSIROLIMUS METABOLITE M8
Common Name English
RAPAMYCIN, 36-HYDROXY-, 42-(3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPANOATE)
Systematic Name English
Code System Code Type Description
FDA UNII
CJ53D4I5U1
Created by admin on Sat Jun 26 10:22:30 UTC 2021 , Edited by admin on Sat Jun 26 10:22:30 UTC 2021
PRIMARY
CAS
876060-65-0
Created by admin on Sat Jun 26 10:22:30 UTC 2021 , Edited by admin on Sat Jun 26 10:22:30 UTC 2021
PRIMARY
PUBCHEM
139593518
Created by admin on Sat Jun 26 10:22:30 UTC 2021 , Edited by admin on Sat Jun 26 10:22:30 UTC 2021
PRIMARY
Related Record Type Details
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