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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16O2
Molecular Weight 180.2435
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL MYRTENATE, (-)-

SMILES

COC(=O)C1=CC[C@H]2C[C@@H]1C2(C)C

InChI

InChIKey=HBIHNNBZGOVTTR-CBAPKCEASA-N
InChI=1S/C11H16O2/c1-11(2)7-4-5-8(9(11)6-7)10(12)13-3/h5,7,9H,4,6H2,1-3H3/t7-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H16O2
Molecular Weight 180.2435
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:40:02 GMT 2023
Edited
by admin
on Sat Dec 16 11:40:02 GMT 2023
Record UNII
5XP6FHB6GQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL MYRTENATE, (-)-
Common Name English
METHYL MYRTENATE, (1R,5S)-
Common Name English
BICYCLO(3.1.1)HEPT-2-ENE-2-CARBOXYLIC ACID, 6,6-DIMETHYL-, METHYL ESTER, (1R,5S)-
Systematic Name English
(-)-METHYL MYRTENATE
Common Name English
METHYL (1R,5S)-6,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-CARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
102260017
Created by admin on Sat Dec 16 11:40:02 GMT 2023 , Edited by admin on Sat Dec 16 11:40:02 GMT 2023
PRIMARY
FDA UNII
5XP6FHB6GQ
Created by admin on Sat Dec 16 11:40:02 GMT 2023 , Edited by admin on Sat Dec 16 11:40:02 GMT 2023
PRIMARY
CAS
59598-42-4
Created by admin on Sat Dec 16 11:40:02 GMT 2023 , Edited by admin on Sat Dec 16 11:40:02 GMT 2023
PRIMARY
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