Beta-mangostin
Properties
- Molecular formula
- C25H28O6
- Molar mass
- 424.49 g/mol
- Exact mass
- 424.1886 Da
- Melting point
- 175.5 °C
- logP
- 5.39Crippen estimate
- Polar surface area
- 89.1 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 6
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
20931-37-7SMILES
COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)CInChIKey
YRKKJHJIWCRNCW-UHFFFAOYSA-NInChI
InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- β-Mangostin
- 9H-Xanthen-9-one, 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-buten-1-yl)-
- Xanthen-9-one, 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)-
- 9H-Xanthen-9-one, 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)-
- 1,6-Dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
Work with Beta-mangostin
Similar compounds
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Gamma-mangostin31271-07-566 % similar
Garcinone C76996-27-555 % similar
Gartanin33390-42-052 % similar
Sophoflavescenol216450-65-649 % similar
Glycyrol23013-84-547 % similar
Icaritin118525-40-946 % similar
Chrysosplenetin603-56-545 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds