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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18O4
Molecular Weight 286.3224
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isosativan, (-)-

SMILES

COC1=CC(O)=C(C=C1)[C@@H]2COC3=C(C2)C=CC(OC)=C3

InChI

InChIKey=FWAWTPASGRNXTO-LBPRGKRZSA-N
InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H18O4
Molecular Weight 286.3224
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:42:31 GMT 2025
Edited
by admin
on Wed Apr 02 05:42:31 GMT 2025
Record UNII
KYQ5YLC3Y9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-Isosativan
Preferred Name English
Isosativan, (-)-
Common Name English
Phenol, 2-(3,4-dihydro-7-methoxy-2H-1-benzopyran-3-yl)-5-methoxy-, (R)-
Systematic Name English
2-[(3R)-3,4-Dihydro-7-methoxy-2H-1-benzopyran-3-yl]-5-methoxyphenol
Systematic Name English
Isosativan
Common Name English
Phenol, 2-[(3R)-3,4-dihydro-7-methoxy-2H-1-benzopyran-3-yl]-5-methoxy-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001161805
Created by admin on Wed Apr 02 05:42:31 GMT 2025 , Edited by admin on Wed Apr 02 05:42:31 GMT 2025
PRIMARY
FDA UNII
KYQ5YLC3Y9
Created by admin on Wed Apr 02 05:42:31 GMT 2025 , Edited by admin on Wed Apr 02 05:42:31 GMT 2025
PRIMARY
CAS
60102-29-6
Created by admin on Wed Apr 02 05:42:31 GMT 2025 , Edited by admin on Wed Apr 02 05:42:31 GMT 2025
PRIMARY
PUBCHEM
14058036
Created by admin on Wed Apr 02 05:42:31 GMT 2025 , Edited by admin on Wed Apr 02 05:42:31 GMT 2025
PRIMARY
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