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Details

Stereochemistry ACHIRAL
Molecular Formula C17H22O3
Molecular Weight 274.3548
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,4,4A,6,7,8,10,10A-DECAHYDRO-1,4A-DIMETHYL-6-OXO-, (1S-(1.ALPHA.,4A.ALPHA.,10A.BETA.))-, 1-PHENANTHRENECARBOXYLIC ACID

SMILES

C[C@@]1(CCC[C@@]2(C)[C@H]1CC=C3CCC(=O)C=C23)C(O)=O

InChI

InChIKey=GGTHDIPRPUXPMX-OIISXLGYSA-N
InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h5,10,14H,3-4,6-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22O3
Molecular Weight 274.3548
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:03:45 GMT 2025
Edited
by admin
on Tue Apr 01 20:03:45 GMT 2025
Record UNII
9Y0X3I7JHW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-115715
Preferred Name English
1,2,3,4,4A,6,7,8,10,10A-DECAHYDRO-1,4A-DIMETHYL-6-OXO-, (1S-(1.ALPHA.,4A.ALPHA.,10A.BETA.))-, 1-PHENANTHRENECARBOXYLIC ACID
Systematic Name English
PODOCARPA-7,9(11)-DIEN-16-OIC ACID, 12-OXO-
Systematic Name English
Code System Code Type Description
CAS
33169-07-2
Created by admin on Tue Apr 01 20:03:45 GMT 2025 , Edited by admin on Tue Apr 01 20:03:45 GMT 2025
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NSC
115715
Created by admin on Tue Apr 01 20:03:45 GMT 2025 , Edited by admin on Tue Apr 01 20:03:45 GMT 2025
PRIMARY
FDA UNII
9Y0X3I7JHW
Created by admin on Tue Apr 01 20:03:45 GMT 2025 , Edited by admin on Tue Apr 01 20:03:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID20954793
Created by admin on Tue Apr 01 20:03:45 GMT 2025 , Edited by admin on Tue Apr 01 20:03:45 GMT 2025
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PUBCHEM
461839
Created by admin on Tue Apr 01 20:03:45 GMT 2025 , Edited by admin on Tue Apr 01 20:03:45 GMT 2025
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