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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36O4
Molecular Weight 376.5295
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLYCERYL 2-ABIETATE

SMILES

[H][C@]12CCC(=CC1=CC[C@@]3([H])[C@@](C)(CCC[C@]23C)C(=O)OC(CO)CO)C(C)C

InChI

InChIKey=ZDZHCVAZYJEHQR-KKSHJYNMSA-N
InChI=1S/C23H36O4/c1-15(2)16-6-8-19-17(12-16)7-9-20-22(19,3)10-5-11-23(20,4)21(26)27-18(13-24)14-25/h7,12,15,18-20,24-25H,5-6,8-11,13-14H2,1-4H3/t19-,20+,22+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H36O4
Molecular Weight 376.5295
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 Fri Dec 15 19:52:42 GMT 2023
Edited
by admin
on Fri Dec 15 19:52:42 GMT 2023
Record UNII
9KP7V8TH79
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCERYL 2-ABIETATE
Common Name English
1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
11852356
Created by admin on Fri Dec 15 19:52:42 GMT 2023 , Edited by admin on Fri Dec 15 19:52:42 GMT 2023
PRIMARY
FDA UNII
9KP7V8TH79
Created by admin on Fri Dec 15 19:52:42 GMT 2023 , Edited by admin on Fri Dec 15 19:52:42 GMT 2023
PRIMARY
CAS
100332-99-8
Created by admin on Fri Dec 15 19:52:42 GMT 2023 , Edited by admin on Fri Dec 15 19:52:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID90143172
Created by admin on Fri Dec 15 19:52:42 GMT 2023 , Edited by admin on Fri Dec 15 19:52:42 GMT 2023
PRIMARY