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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H36O5
Molecular Weight 356.4968
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAGOCHILIN

SMILES

[H][C@@]12CC[C@@H](C)[C@]3(CC[C@@](CO)(CCO)O3)[C@@]1(C)CC[C@H](O)[C@@]2(C)CO

InChI

InChIKey=XYPPDQHBNJURHU-IPOQXWOTSA-N
InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H36O5
Molecular Weight 356.4968
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:59:23 GMT 2023
Edited
by admin
on Sat Dec 16 16:59:23 GMT 2023
Record UNII
S62BXK5HES
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAGOCHILIN
Common Name English
(1'R,2'R,4'AS,5S,5'R,6'S,8'AS)-DECAHYDRO-6'-HYDROXY-5-(2-HYDROXYETHYL)-2',5',8'A-TRIMETHYLSPIRO(FURAN-2(3H),1'(2'H)-NAPHTHALENE)-5,5'-DIMETHANOL
Systematic Name English
LABDANE-3.BETA.,15,16,18-TETROL, 9,13-EPOXY-
Systematic Name English
(2R,4'A.ALPHA.,5S)-3',4,4',4A',5,5',6',7',8',8A'-DECAHYDRO-6'.BETA.-HYDROXY-5-(2-HYDROXYETHYL)-2'.ALPHA.,5',8'A.BETA.-TRIMETHYLSPIRO(FURAN-2(3H),1'(2'H)-NAPHTHALENE)-5,5'.ALPHA.-DIMETHANOL
Systematic Name English
SPIRO(FURAN-2(3H),1'(2'H)-NAPHTHALENE)-5,5'-DIMETHANOL, DECAHYDRO-6'-HYDROXY-5-(2-HYDROXYETHYL)-2',5',8'A-TRIMETHYL-, (1'R-(1'.ALPHA.(S*),2'.ALPHA.,4'A.ALPHA.,5'.ALPHA.,6'.BETA.,8'A.BETA.))-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Lagochilin
Created by admin on Sat Dec 16 16:59:23 GMT 2023 , Edited by admin on Sat Dec 16 16:59:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID30392905
Created by admin on Sat Dec 16 16:59:23 GMT 2023 , Edited by admin on Sat Dec 16 16:59:23 GMT 2023
PRIMARY
CAS
23554-81-6
Created by admin on Sat Dec 16 16:59:23 GMT 2023 , Edited by admin on Sat Dec 16 16:59:23 GMT 2023
PRIMARY
PUBCHEM
7061097
Created by admin on Sat Dec 16 16:59:23 GMT 2023 , Edited by admin on Sat Dec 16 16:59:23 GMT 2023
PRIMARY
FDA UNII
S62BXK5HES
Created by admin on Sat Dec 16 16:59:23 GMT 2023 , Edited by admin on Sat Dec 16 16:59:23 GMT 2023
PRIMARY