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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20O4
Molecular Weight 300.349
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SP-8356

SMILES

COC1=CC(\C=C\C2=CC(=O)[C@H]3C[C@@H]2C3(C)C)=CC(O)=C1O

InChI

InChIKey=ITCSXIQQWJYZHT-QITAHTHBSA-N
InChI=1S/C18H20O4/c1-18(2)12-9-13(18)14(19)8-11(12)5-4-10-6-15(20)17(21)16(7-10)22-3/h4-8,12-13,20-21H,9H2,1-3H3/b5-4+/t12-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H20O4
Molecular Weight 300.349
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:10:34 GMT 2025
Edited
by admin
on Wed Apr 02 21:10:34 GMT 2025
Record UNII
MT7GG73BQT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SP-8356
Code English
(1S,5R)-4-[(1E)-2-(3,4-Dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
Preferred Name English
Bicyclo[3.1.1]hept-3-en-2-one, 4-[(1E)-2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethyl-, (1S,5R)-
Systematic Name English
Code System Code Type Description
CAS
1454885-45-0
Created by admin on Wed Apr 02 21:10:34 GMT 2025 , Edited by admin on Wed Apr 02 21:10:34 GMT 2025
PRIMARY
FDA UNII
MT7GG73BQT
Created by admin on Wed Apr 02 21:10:34 GMT 2025 , Edited by admin on Wed Apr 02 21:10:34 GMT 2025
PRIMARY
PUBCHEM
72191360
Created by admin on Wed Apr 02 21:10:34 GMT 2025 , Edited by admin on Wed Apr 02 21:10:34 GMT 2025
PRIMARY
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