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Details

Stereochemistry ACHIRAL
Molecular Formula C22H30O6
Molecular Weight 390.47
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREGOMISIN

SMILES

COC1=C(OC)C(O)=CC(C[C@H](C)[C@H](C)CC2=CC(OC)=C(OC)C(O)=C2)=C1

InChI

InChIKey=RLRKIWSBYUZHIJ-OKILXGFUSA-N
InChI=1S/C22H30O6/c1-13(7-15-9-17(23)21(27-5)19(11-15)25-3)14(2)8-16-10-18(24)22(28-6)20(12-16)26-4/h9-14,23-24H,7-8H2,1-6H3/t13-,14+

HIDE SMILES / InChI

Molecular Formula C22H30O6
Molecular Weight 390.47
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:29:17 UTC 2023
Edited
by admin
on Sat Dec 16 10:29:17 UTC 2023
Record UNII
5AYW92EXLG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGOMISIN
Common Name English
PHENOL, 3,3'-(2,3-DIMETHYL-1,4-BUTANEDIYL)BIS(5,6-DIMETHOXY-, (R*,S*)-
Common Name English
PHENOL, 3,3'-((2R,3S)-2,3-DIMETHYL-1,4-BUTANEDIYL)BIS(5,6-DIMETHOXY-, REL-
Systematic Name English
3,3'-DIHYDROXY-4,4',5,5'-TETRAMETHOXYLIGNAN
Common Name English
Code System Code Type Description
CAS
66280-26-0
Created by admin on Sat Dec 16 10:29:17 UTC 2023 , Edited by admin on Sat Dec 16 10:29:17 UTC 2023
PRIMARY
WIKIPEDIA
Pregomisin
Created by admin on Sat Dec 16 10:29:17 UTC 2023 , Edited by admin on Sat Dec 16 10:29:17 UTC 2023
PRIMARY
FDA UNII
5AYW92EXLG
Created by admin on Sat Dec 16 10:29:17 UTC 2023 , Edited by admin on Sat Dec 16 10:29:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID601045554
Created by admin on Sat Dec 16 10:29:17 UTC 2023 , Edited by admin on Sat Dec 16 10:29:17 UTC 2023
PRIMARY
PUBCHEM
181796
Created by admin on Sat Dec 16 10:29:17 UTC 2023 , Edited by admin on Sat Dec 16 10:29:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT