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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28O6
Molecular Weight 400.4648
Optical Activity ( + )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Melleolide

SMILES

CC1=C(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23O)C(O)=CC(O)=C1

InChI

InChIKey=SJZRUQOYQZRISL-IDOJSZHESA-N
InChI=1S/C23H28O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,11,13,16,18,25-26,28H,8-10H2,1-4H3/t13-,16+,18-,22-,23+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-369505
Preferred Name English
Melleolide
Common Name English
Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
Systematic Name English
Code System Code Type Description
NSC
369505
Created by admin on Wed Apr 02 19:16:24 GMT 2025 , Edited by admin on Wed Apr 02 19:16:24 GMT 2025
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FDA UNII
6Z3PMG7GAW
Created by admin on Wed Apr 02 19:16:24 GMT 2025 , Edited by admin on Wed Apr 02 19:16:24 GMT 2025
PRIMARY
PUBCHEM
158276
Created by admin on Wed Apr 02 19:16:24 GMT 2025 , Edited by admin on Wed Apr 02 19:16:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID601002982
Created by admin on Wed Apr 02 19:16:24 GMT 2025 , Edited by admin on Wed Apr 02 19:16:24 GMT 2025
PRIMARY
CAS
82869-08-7
Created by admin on Wed Apr 02 19:16:24 GMT 2025 , Edited by admin on Wed Apr 02 19:16:24 GMT 2025
PRIMARY