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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H49NO6
Molecular Weight 603.7881
Optical Activity ( + )
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LFA-703

SMILES

[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@H]3C[C@@H](O)CC(=O)N3CC4=CC=C5C(C=CC(OC)=C5CO)=C4)OC(=O)[C@@H](C)CC

InChI

InChIKey=WPVRNXUYVXQXPY-YFAYRSKXSA-N
InChI=1S/C37H49NO6/c1-6-23(3)37(42)44-34-16-22(2)15-27-9-7-24(4)30(36(27)34)13-11-28-18-29(40)19-35(41)38(28)20-25-8-12-31-26(17-25)10-14-33(43-5)32(31)21-39/h7-10,12,14-15,17,22-24,28-30,34,36,39-40H,6,11,13,16,18-21H2,1-5H3/t22-,23-,24-,28-,29+,30-,34-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H49NO6
Molecular Weight 603.7881
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:24:30 GMT 2023
Edited
by admin
on Sat Dec 16 11:24:30 GMT 2023
Record UNII
ZT4887FB5E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LFA-703
Code English
BUTANOIC ACID, 2-METHYL-, (1S,3R,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-8-(2-((2S,4R)-4-HYDROXY-1-((5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHALENYL)METHYL)-6-OXO-2-PIPERIDINYL)ETHYL)-3,7-DIMETHYL-1-NAPHTHALENYL ESTER, (2S)-
Systematic Name English
(1S,3R,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-8-(2-((2S,4R)-4-HYDROXY-1-((5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHALENYL)METHYL)-6-OXO-2-PIPERIDINYL)ETHYL)-3,7-DIMETHYL-1-NAPHTHALENYL (2S)-2-METHYLBUTANOATE
Systematic Name English
(+)-LFA-703
Common Name English
LFA703
Code English
Code System Code Type Description
FDA UNII
ZT4887FB5E
Created by admin on Sat Dec 16 11:24:30 GMT 2023 , Edited by admin on Sat Dec 16 11:24:30 GMT 2023
PRIMARY
CAS
288324-06-1
Created by admin on Sat Dec 16 11:24:30 GMT 2023 , Edited by admin on Sat Dec 16 11:24:30 GMT 2023
PRIMARY
PUBCHEM
449169
Created by admin on Sat Dec 16 11:24:30 GMT 2023 , Edited by admin on Sat Dec 16 11:24:30 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY