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Details

Stereochemistry ACHIRAL
Molecular Formula C25H28O5
Molecular Weight 408.4868
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VARIECOXANTHONE B

SMILES

CC(C)=CCOC1=C(C)C=C2OC3=C(C(=O)C2=C1CO)C(O)=CC=C3CC=C(C)C

InChI

InChIKey=JZHBEPYIKRDWBE-UHFFFAOYSA-N
InChI=1S/C25H28O5/c1-14(2)6-7-17-8-9-19(27)22-23(28)21-18(13-26)24(29-11-10-15(3)4)16(5)12-20(21)30-25(17)22/h6,8-10,12,26-27H,7,11,13H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C25H28O5
Molecular Weight 408.4868
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:52:14 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:14 GMT 2023
Record UNII
W1D56SC6FA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VARIECOXANTHONE B
Common Name English
9H-XANTHEN-9-ONE, 8-HYDROXY-1-(HYDROXYMETHYL)-3-METHYL-5-(3-METHYL-2-BUTEN-1-YL)-2-((3-METHYL-2-BUTEN-1-YL)OXY)-
Systematic Name English
EMERICELLIN
Common Name English
8-HYDROXY-1-(HYDROXYMETHYL)-3-METHYL-5-(3-METHYL-2-BUTEN-1-YL)-2-((3-METHYL-2-BUTEN-1-YL)OXY)-9H-XANTHEN-9-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
W1D56SC6FA
Created by admin on Sat Dec 16 12:52:14 GMT 2023 , Edited by admin on Sat Dec 16 12:52:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID80204403
Created by admin on Sat Dec 16 12:52:14 GMT 2023 , Edited by admin on Sat Dec 16 12:52:14 GMT 2023
PRIMARY
PUBCHEM
5491812
Created by admin on Sat Dec 16 12:52:14 GMT 2023 , Edited by admin on Sat Dec 16 12:52:14 GMT 2023
PRIMARY
CHEBI
64512
Created by admin on Sat Dec 16 12:52:14 GMT 2023 , Edited by admin on Sat Dec 16 12:52:14 GMT 2023
PRIMARY
CAS
55812-93-6
Created by admin on Sat Dec 16 12:52:14 GMT 2023 , Edited by admin on Sat Dec 16 12:52:14 GMT 2023
PRIMARY