Thwaitesixanthone
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Basic information
- CAS
55785-61-0- Standard SMILES
CC1(C)C=Cc2c(cc3oc4ccc5c(c4c(=O)c3c2O)C=CC(C)(C)O5)O1- InChIKey
CGUOCNBOCVGVNB-UHFFFAOYSA-N- Molecular formula
- C23H20O5
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.13107373
Overview
Thwaitesixanthone has been reported in Garcinia mangostana with data available.
Names & identifiers
- Preferred name
- Thwaitesixanthone
- IUPAC
- 22-hydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,10,14,16(21),19-octaen-2-one
- English name
- 13-Hydroxy-3,3,10,10-tetramethyl-10H-dipyrano[3,2-a:2',3'-i]xanthen-14(3H)-one
- Molecular formula
- C23H20O5
- Molecular weight
- 376.4
Names & synonyms
Thwaitesixanthone4RNI3W6K2RUNII-4RNI3W6K2RNSC 692216NSC-692216DTXSID8020434713-Hydroxy-3,3,10,10-tetramethyl-10H-dipyrano(3,2-a:2',3'-i)xanthen-14(3H)-one13-Hydroxy-3,3,10,10-tetramethyl-10H-dipyrano(3,2-a:2,3-i)xanthen-14(3H)-one10H-DIPYRANO(3,2-A:2',3'-I)XANTHEN-14(3H)-ONE, 13-HYDROXY-3,3,10,10-TETRAMETHYL-13-Hydroxy-3,3,10,10-tetramethyl-10H-dipyrano[3,2-a:2',3'-i]xanthen-14(3H)-one13-Hydroxy-3,3,10,10-tetramethyl-10H-dipyrano[3,2-a:2,3-i]xanthen-14(3H)-one22-hydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo(12.8.0.03,12.04,9.016,21)docosa-1(22),3(12),4(9),5,10,14,16(21),19-octaen-2-one
Show more names
10H-Dipyrano[3,2-a:2',3'-i]xanthen-14(3H)-one, 13-hydroxy-3,3,10,10-tetramethyl-
22-hydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,10,14,16(21),19-octaen-2-oneRefChem:189833DTXCID8012683855785-61-0NSC692216CHEMBL2006383SCHEMBL30435431NCI60_033072
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 723
Physicochemical properties
- FDA UNII
- 4 RNI3W6K2R · 4RNI3W6K2R
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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