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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20O5
Molecular Weight 340.3698
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-dimethylallylglycinol

SMILES

[H][C@@]12OC3=CC(O)=CC=C3[C@]1(O)COC4=C(CC=C(C)C)C(O)=CC=C24

InChI

InChIKey=NLHMQOCIFRDSNU-VQTJNVASSA-N
InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20O5
Molecular Weight 340.3698
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:32:58 GMT 2023
Edited
by admin
on Sat Dec 16 15:32:58 GMT 2023
Record UNII
TK62GB68TJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-dimethylallylglycinol
Common Name English
Glyceollidin I
Common Name English
(6AR,11AS)-4-(3-METHYLBUT-2-ENYL)-6,11A-DIHYDRO-(1)BENZOFURO(3,2-C)CHROMENE-3,6A,9-TRIOL
Systematic Name English
6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol, 4-(3-methyl-2-butenyl)-, (6aS-cis)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00474641
Created by admin on Sat Dec 16 15:32:58 GMT 2023 , Edited by admin on Sat Dec 16 15:32:58 GMT 2023
PRIMARY
CAS
77979-21-6
Created by admin on Sat Dec 16 15:32:58 GMT 2023 , Edited by admin on Sat Dec 16 15:32:58 GMT 2023
PRIMARY
FDA UNII
TK62GB68TJ
Created by admin on Sat Dec 16 15:32:58 GMT 2023 , Edited by admin on Sat Dec 16 15:32:58 GMT 2023
PRIMARY
PUBCHEM
11954192
Created by admin on Sat Dec 16 15:32:58 GMT 2023 , Edited by admin on Sat Dec 16 15:32:58 GMT 2023
PRIMARY