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Details

Stereochemistry ACHIRAL
Molecular Formula C24H24O5
Molecular Weight 392.4444
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Calabaxanthone

SMILES

COC1=CC=C2OC3=CC4=C(C=CC(C)(C)O4)C(O)=C3C(=O)C2=C1CC=C(C)C

InChI

InChIKey=PLKQPRRVFTZBAE-UHFFFAOYSA-N
InChI=1S/C24H24O5/c1-13(2)6-7-14-16(27-5)8-9-17-20(14)23(26)21-19(28-17)12-18-15(22(21)25)10-11-24(3,4)29-18/h6,8-12,25H,7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C24H24O5
Molecular Weight 392.4444
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 16:18:15 GMT 2023
Edited
by admin
on Sat Dec 16 16:18:15 GMT 2023
Record UNII
Y7Z3U6WUB8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Calabaxanthone
Common Name English
8-METHOXY-2,2-DIMETHYL-7-(3-METHYLBUT-2-ENYL)-5-OXIDANYL-PYRANO(3,2-B)XANTHEN-6-ONE
Systematic Name English
2H,6H-Pyrano[3,2-b]xanthen-6-one, 5-hydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-
Systematic Name English
5-Hydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one
Systematic Name English
2H,6H-Pyrano[3,2-b]xanthen-6-one, 5-hydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-
Systematic Name English
NSC-372808
Code English
Code System Code Type Description
CAS
39011-96-6
Created by admin on Sat Dec 16 16:18:15 GMT 2023 , Edited by admin on Sat Dec 16 16:18:15 GMT 2023
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NSC
372808
Created by admin on Sat Dec 16 16:18:15 GMT 2023 , Edited by admin on Sat Dec 16 16:18:15 GMT 2023
PRIMARY
PUBCHEM
341188
Created by admin on Sat Dec 16 16:18:15 GMT 2023 , Edited by admin on Sat Dec 16 16:18:15 GMT 2023
PRIMARY
FDA UNII
Y7Z3U6WUB8
Created by admin on Sat Dec 16 16:18:15 GMT 2023 , Edited by admin on Sat Dec 16 16:18:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID40321281
Created by admin on Sat Dec 16 16:18:15 GMT 2023 , Edited by admin on Sat Dec 16 16:18:15 GMT 2023
PRIMARY