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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O4
Molecular Weight 346.4605
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pinusolide

SMILES

COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CC[C@@H]12

InChI

InChIKey=WTKBZJAWPZXKJU-NLEAXPPASA-N
InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O4
Molecular Weight 346.4605
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:52:01 GMT 2025
Edited
by admin
on Wed Apr 02 05:52:01 GMT 2025
Record UNII
6HV7MVZ4Y7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Naphthalenecarboxylic acid, 5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester, (1S,4aR,5S,8aR)-
Preferred Name English
Pinusolide
Common Name English
Methyl (1S,4aR,5S,8aR)-5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylate
Systematic Name English
1-Naphthalenecarboxylic acid, 5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester, [1S-(1?,4a?,5?,8a?)]-
Systematic Name English
Code System Code Type Description
CAS
31685-80-0
Created by admin on Wed Apr 02 05:52:01 GMT 2025 , Edited by admin on Wed Apr 02 05:52:01 GMT 2025
PRIMARY
PUBCHEM
161721
Created by admin on Wed Apr 02 05:52:01 GMT 2025 , Edited by admin on Wed Apr 02 05:52:01 GMT 2025
PRIMARY
FDA UNII
6HV7MVZ4Y7
Created by admin on Wed Apr 02 05:52:01 GMT 2025 , Edited by admin on Wed Apr 02 05:52:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID90953637
Created by admin on Wed Apr 02 05:52:01 GMT 2025 , Edited by admin on Wed Apr 02 05:52:01 GMT 2025
PRIMARY