| Identification | Back Directory | [Name]
Morellic acid | [CAS]
5304-71-2 | [Synonyms]
Morellic acid
2-Butenoic acid, 2-methyl-4-[(1R,3aS,5S,14aS)-3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-buten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, (2Z)- | [Molecular Formula]
C33H36O8 | [MDL Number]
MFCD21363941 | [MOL File]
5304-71-2.mol | [Molecular Weight]
560.63 |
| Chemical Properties | Back Directory | [Melting point ]
94℃ | [Boiling point ]
777.6±60.0 °C(Predicted) | [density ]
1.36±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble in chloroform and DMSO | [form ]
Powder | [pka]
4.58±0.36(Predicted) | [color ]
Orange to red | [InChI]
1S/C29H31N3O2/c1-21-8-13-28-25(18-21)27-19-26(23-9-11-24(33-2)12-10-23)30-32(27)29(34-28)14-16-31(17-15-29)20-22-6-4-3-5-7-22/h3-13,18,27H,14-17,19-20H2,1-2H3 | [InChIKey]
XYTOZJVLVMHAAC-UHFFFAOYSA-N | [SMILES]
CC(C=C1)(C)OC2=C1C(O)=C(C(C([C@@]34[C@@]5(C/C=C(C(O)=O)/C)OC(C)([C@@]4(C6)[H])C)=C[C@@]6([H])C5=O)=O)C(O3)=C2CC=C(C)C |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White crystals, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from the resin of Garcinia hanburyi Hook.f., a plant of the Garcinia family. | [Uses]
Morellic Acid is used as a protein tyrosine phosphatase 1B (PTP1B) inhibitor in the treatment of diabetes or cancer. | [target]
HIV | Antifection | [storage]
Store at -20°C |
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