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Details

Stereochemistry RACEMIC
Molecular Formula C21H22O2
Molecular Weight 306.3982
Optical Activity ( + / - )
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENDIANDRIC ACID A

SMILES

OC(=O)C[C@H]1[C@@H]2C[C@H]3C=C[C@H]([C@@H]4C=C[C@H]1[C@H]2[C@H]34)C5=CC=CC=C5

InChI

InChIKey=NCJMIMSYHAESBZ-ISPFPGQYSA-N
InChI=1S/C21H22O2/c22-19(23)11-17-16-9-8-15-14(12-4-2-1-3-5-12)7-6-13-10-18(17)21(16)20(13)15/h1-9,13-18,20-21H,10-11H2,(H,22,23)/t13-,14+,15+,16-,17-,18+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22O2
Molecular Weight 306.3982
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:05:07 GMT 2025
Edited
by admin
on Mon Mar 31 23:05:07 GMT 2025
Record UNII
84CSS3T9ZC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENDIANDRIC ACID A [MI]
Preferred Name English
ENDIANDRIC ACID A
MI  
Common Name English
ENDIANDRIC ACID A, (±)-
Common Name English
REL-(1R,1AR,2AR,5S,5AS,7AS,7BR,7CR)-1A,2,2A,5,5A,7A,7B,7C-OCTAHYDRO-5-PHENYL-1H-CYCLOBUT(BC)ACENAPHTHYLENE-1-ACETIC ACID
Systematic Name English
1H-CYCLOBUT(BC)ACENAPHTHYLENE-1-ACETIC ACID, 1A,2,2A,5,5A,7A,7B,7C-OCTAHYDRO-5-PHENYL-, (1R,1AR,2AR,5S,5AS,7AS,7BR,7CR)-REL-
Systematic Name English
Code System Code Type Description
FDA UNII
84CSS3T9ZC
Created by admin on Mon Mar 31 23:05:07 GMT 2025 , Edited by admin on Mon Mar 31 23:05:07 GMT 2025
PRIMARY
MERCK INDEX
m4896
Created by admin on Mon Mar 31 23:05:07 GMT 2025 , Edited by admin on Mon Mar 31 23:05:07 GMT 2025
PRIMARY Merck Index
PUBCHEM
11781740
Created by admin on Mon Mar 31 23:05:07 GMT 2025 , Edited by admin on Mon Mar 31 23:05:07 GMT 2025
PRIMARY
CAS
74591-03-0
Created by admin on Mon Mar 31 23:05:07 GMT 2025 , Edited by admin on Mon Mar 31 23:05:07 GMT 2025
PRIMARY