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Details

Stereochemistry ABSOLUTE
Molecular Formula C55H85NO16
Molecular Weight 1016.2626
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 32-O-DESMETHYL TEMSIROLIMUS

SMILES

C[C@]1([H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\C)/[C@]([H])(C[C@]2([H])CC[C@@]([H])(C)[C@@](C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@]([H])(CC(=O)[C@]([H])(C)/C(/[H])=C(\C)/[C@]([H])([C@]([H])(C(=O)[C@]([H])(C)C1)O)O)[C@]([H])(C)C[C@]4([H])CC[C@]([H])([C@@]([H])(C4)OC)OC(=O)C(C)(CO)CO)(O)O2)OC

InChI

InChIKey=GBRCYSBMJYVEKY-ODPRKNHNSA-N
InChI=1S/C55H85NO16/c1-32-16-12-11-13-17-33(2)44(68-9)28-40-21-19-38(7)55(67,72-40)50(63)51(64)56-23-15-14-18-41(56)52(65)70-45(29-42(59)34(3)25-37(6)48(61)49(62)47(60)36(5)24-32)35(4)26-39-20-22-43(46(27-39)69-10)71-53(66)54(8,30-57)31-58/h11-13,16-17,25,32,34-36,38-41,43-46,48-49,57-58,61-62,67H,14-15,18-24,26-31H2,1-10H3/b13-11+,16-12+,33-17+,37-25+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,55-/m1/s1

HIDE SMILES / InChI

Molecular Formula C55H85NO16
Molecular Weight 1016.2626
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 12:57:36 UTC 2021
Edited
by admin
on Sat Jun 26 12:57:36 UTC 2021
Record UNII
GE8RF914I4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
32-O-DESMETHYL TEMSIROLIMUS
Common Name English
TEMSIROLIMUS METABOLITE M13
Common Name English
RAPAMYCIN, 32-O-DEMETHYL-, 42-(3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPANOATE)
Systematic Name English
Code System Code Type Description
FDA UNII
GE8RF914I4
Created by admin on Sat Jun 26 12:57:36 UTC 2021 , Edited by admin on Sat Jun 26 12:57:36 UTC 2021
PRIMARY
CAS
952607-97-5
Created by admin on Sat Jun 26 12:57:36 UTC 2021 , Edited by admin on Sat Jun 26 12:57:36 UTC 2021
PRIMARY
PUBCHEM
139593467
Created by admin on Sat Jun 26 12:57:36 UTC 2021 , Edited by admin on Sat Jun 26 12:57:36 UTC 2021
PRIMARY
Related Record Type Details
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