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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H69NO11
Molecular Weight 776.0097
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of (1E,3S,4R,5S,8R,9E,12S,14S)-5-HYDROXY-1-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-14-METHOXY-14-((2R,3S,5R)-3-METHOXY-5-METHYL-6-OXOOXAN-2-YL)-2,4,10,12-TETRAMETHYL-7-OXO-8-(PROP-2-EN-1-YL)TETRADECA-1,9-DIEN-3-YL (2S)-1-FORMYLPIPERIDINE-2-CARBOXYLATE

SMILES

C=CC[C@]([H])(/C(/[H])=C(\C)/C[C@]([H])(C)C[C@@]([H])([C@]1([H])[C@]([H])(C[C@@]([H])(C)C(=O)O1)OC)OC)C(=O)C[C@@]([H])([C@@]([H])(C)[C@@]([H])(/C(=C(\[H])/[C@]2([H])CC[C@]([H])([C@@]([H])(C2)OC)O)/C)OC(=O)[C@]3([H])CCCCN3C=O)O

InChI

InChIKey=LUBLZMAEBCCRLW-HTLAODBJSA-N
InChI=1S/C43H69NO11/c1-10-13-32(19-26(2)18-27(3)20-38(52-8)41-39(53-9)22-29(5)42(49)55-41)36(48)24-35(47)30(6)40(54-43(50)33-14-11-12-17-44(33)25-45)28(4)21-31-15-16-34(46)37(23-31)51-7/h10,19,21,25,27,29-35,37-41,46-47H,1,11-18,20,22-24H2,2-9H3/b26-19+,28-21+/t27-,29+,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula C43H69NO11
Molecular Weight 776.0097
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:21:18 UTC 2021
Edited
by admin
on Fri Jun 25 21:21:18 UTC 2021
Record UNII
XB5YB7L8RD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1E,3S,4R,5S,8R,9E,12S,14S)-5-HYDROXY-1-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-14-METHOXY-14-((2R,3S,5R)-3-METHOXY-5-METHYL-6-OXOOXAN-2-YL)-2,4,10,12-TETRAMETHYL-7-OXO-8-(PROP-2-EN-1-YL)TETRADECA-1,9-DIEN-3-YL (2S)-1-FORMYLPIPERIDINE-2-CARBOXYLATE
Systematic Name English
2-PIPERIDINECARBOXYLIC ACID, 1-FORMYL-, 3-HYDROXY-1-(2-(4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-12-METHOXY-2,8,10-TRIMETHYL-5-OXO-6-(2-PROPENYL)-12-(TETRAHYDRO-3-METHOXY-5-METHYL-6-OXO-2H-PYRAN-2-YL)-7-DODECENYL ESTER, (2R-(2.ALPHA.(1S*((E(1R*,3R
Systematic Name English
TACROLIMUS MONOHYDRATE IMPURITY H [EP]
Common Name English
2-PIPERIDINECARBOXYLIC ACID, 1-FORMYL-, (1S,2R,3S,6R,7E,10S,12S)-3-HYDROXY-1-((1E)-2-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-12-METHOXY-2,8,10-TRIMETHYL-5-OXO-6-(2-PROPEN-1-YL)-12-((2R,3S,5R)-TETRAHYDRO-3-METHOXY-5-METHYL-6-OXO-2H-PYR
Systematic Name English
Code System Code Type Description
CAS
143210-33-7
Created by admin on Fri Jun 25 21:21:18 UTC 2021 , Edited by admin on Fri Jun 25 21:21:18 UTC 2021
PRIMARY
PUBCHEM
101342455
Created by admin on Fri Jun 25 21:21:18 UTC 2021 , Edited by admin on Fri Jun 25 21:21:18 UTC 2021
PRIMARY
FDA UNII
XB5YB7L8RD
Created by admin on Fri Jun 25 21:21:18 UTC 2021 , Edited by admin on Fri Jun 25 21:21:18 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP