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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H34O2
Molecular Weight 330.5042
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABIETYL ACETATE

SMILES

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

InChI

InChIKey=JVRVYQYYINXFCM-MYGLTJDJSA-N
InChI=1S/C22H34O2/c1-15(2)17-7-9-19-18(13-17)8-10-20-21(4,14-24-16(3)23)11-6-12-22(19,20)5/h8,13,15,19-20H,6-7,9-12,14H2,1-5H3/t19-,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H34O2
Molecular Weight 330.5042
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 Sat Dec 16 08:30:58 GMT 2023
Edited
by admin
on Sat Dec 16 08:30:58 GMT 2023
Record UNII
I0S2JS6HIS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABIETYL ACETATE
Common Name English
1-PHENANTHRENEMETHANOL, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, ACETATE, (1R-(1.ALPHA.,4A.BETA.,4B.ALPHA.,10A.ALPHA.))-
Systematic Name English
ABIETYL ALCOHOL, ACETATE
Common Name English
1-PHENANTHRENEMETHANOL, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, 1-ACETATE, (1R,4AR,4BR,10AR)-
Common Name English
Code System Code Type Description
FDA UNII
I0S2JS6HIS
Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-025-2
Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023
PRIMARY
PUBCHEM
171324
Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID40904391
Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023
PRIMARY
CAS
54200-50-9
Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023
PRIMARY