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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O2
Molecular Weight 314.4617
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL DEHYDROABIETATE

SMILES

[H][C@@]12CCC3=C(C=CC(=C3)C(C)C)[C@@]1(C)CCC[C@@]2(C)C(=O)OC

InChI

InChIKey=PGZCJOPTDHWYES-HMXCVIKNSA-N
InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30O2
Molecular Weight 314.4617
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:59:54 GMT 2023
Edited
by admin
on Fri Dec 15 17:59:54 GMT 2023
Record UNII
4P47O55S2W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL DEHYDROABIETATE
INCI  
INCI  
Official Name English
NSC-81596
Code English
NSC-146198
Code English
(1R,4AS,10AR)-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-1-PHENANTHRENECARBOXYLIC ACID METHYL ESTER
Common Name English
METHYL DEHYDROABIETATE [INCI]
Common Name English
Code System Code Type Description
NSC
146198
Created by admin on Fri Dec 15 17:59:54 GMT 2023 , Edited by admin on Fri Dec 15 17:59:54 GMT 2023
PRIMARY
FDA UNII
4P47O55S2W
Created by admin on Fri Dec 15 17:59:54 GMT 2023 , Edited by admin on Fri Dec 15 17:59:54 GMT 2023
PRIMARY
PUBCHEM
14697
Created by admin on Fri Dec 15 17:59:54 GMT 2023 , Edited by admin on Fri Dec 15 17:59:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID10880714
Created by admin on Fri Dec 15 17:59:54 GMT 2023 , Edited by admin on Fri Dec 15 17:59:54 GMT 2023
PRIMARY
CAS
1235-74-1
Created by admin on Fri Dec 15 17:59:54 GMT 2023 , Edited by admin on Fri Dec 15 17:59:54 GMT 2023
PRIMARY
NSC
81596
Created by admin on Fri Dec 15 17:59:54 GMT 2023 , Edited by admin on Fri Dec 15 17:59:54 GMT 2023
PRIMARY