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Details

Stereochemistry EPIMERIC
Molecular Formula C23H36O4
Molecular Weight 376.5295
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLYCERYL 1-ABIETATE

SMILES

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

InChI

InChIKey=HBKBEZURJSNABK-MWJPAGEPSA-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)27-14-18(25)13-24/h7,12,15,18-20,24-25H,5-6,8-11,13-14H2,1-4H3/t18?,19-,20+,22+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H36O4
Molecular Weight 376.5295
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:14:32 GMT 2023
Edited
by admin
on Fri Dec 15 16:14:32 GMT 2023
Record UNII
9AT5VG0LP2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCERYL 1-ABIETATE
Common Name English
ABIETIC ACID, 2,3-DIHYDROXYPROPYL ESTER
Common Name English
1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, 2,3-DIHYDROXYPROPYL ESTER, (1R,4AR,4BR,10AR)-
Common Name English
GLYCEROL 1-ABIETATE
Common Name English
1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, 2,3-DIHYDROXYPROPYL ESTER, (1R-(1.ALPHA.,4A.BETA.,4B.ALPHA.,10A.ALPHA.))-(PARTIAL)-
Common Name English
PODOCARPA-7,13-DIEN-15-OIC ACID, 13-ISOPROPYL-, 2,3-DIHYDROXYPROPYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
11852355
Created by admin on Fri Dec 15 16:14:32 GMT 2023 , Edited by admin on Fri Dec 15 16:14:32 GMT 2023
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FDA UNII
9AT5VG0LP2
Created by admin on Fri Dec 15 16:14:32 GMT 2023 , Edited by admin on Fri Dec 15 16:14:32 GMT 2023
PRIMARY
CAS
186374-50-5
Created by admin on Fri Dec 15 16:14:32 GMT 2023 , Edited by admin on Fri Dec 15 16:14:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID80171888
Created by admin on Fri Dec 15 16:14:32 GMT 2023 , Edited by admin on Fri Dec 15 16:14:32 GMT 2023
PRIMARY