U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
S62BXK5HES
Record Status Validated (UNII)
Record Version