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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O2
Molecular Weight 318.4935
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL DIHYDROABIETATE

SMILES

[H][C@@]12CC[C@@]3([H])[C@@](C)(CCC[C@]3(C)[C@@]1([H])CCC(=C2)C(C)C)C(=O)OC

InChI

InChIKey=MARRJGBPDCCAEK-FSAOVCISSA-N
InChI=1S/C21H34O2/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/h13-14,16-18H,6-12H2,1-5H3/t16-,17-,18+,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H34O2
Molecular Weight 318.4935
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:31:22 UTC 2023
Edited
by admin
on Fri Dec 15 16:31:22 UTC 2023
Record UNII
7666FJ0J9F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL DIHYDROABIETATE
INCI  
INCI  
Official Name English
1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,8A,9,10,10A-DODECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, METHYL ESTER, (1R,4AR,4BS,8AS,10AR)-
Systematic Name English
METHYL DIHYDROABIETATE [INCI]
Common Name English
Code System Code Type Description
FDA UNII
7666FJ0J9F
Created by admin on Fri Dec 15 16:31:22 UTC 2023 , Edited by admin on Fri Dec 15 16:31:22 UTC 2023
PRIMARY
PUBCHEM
22216196
Created by admin on Fri Dec 15 16:31:22 UTC 2023 , Edited by admin on Fri Dec 15 16:31:22 UTC 2023
PRIMARY
RXCUI
1600931
Created by admin on Fri Dec 15 16:31:22 UTC 2023 , Edited by admin on Fri Dec 15 16:31:22 UTC 2023
PRIMARY RxNorm
DAILYMED
7666FJ0J9F
Created by admin on Fri Dec 15 16:31:22 UTC 2023 , Edited by admin on Fri Dec 15 16:31:22 UTC 2023
PRIMARY
CAS
33892-18-1
Created by admin on Fri Dec 15 16:31:22 UTC 2023 , Edited by admin on Fri Dec 15 16:31:22 UTC 2023
PRIMARY