| Identification |
| Name: | Benzeneacetic acid,4-hydroxy-,[(2S,3aR,3bS,6aR,9aS,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methylester |
| Synonyms: | Daphnetoxin,6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-,20-(4-hydroxybenzeneacetate); 7H-2,9b-Epoxyazuleno[5,4-e]-1,3-benzodioxole,daphnetoxin deriv.; Benzeneacetic acid, 4-hydroxy-,[3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methylester, [2S-(2a,3ab,3bb,6ab,9aa,9ba,10a,11ab)]-; Tinyatoxin |
| CAS: | 58821-95-7 |
| Molecular Formula: | C36H38 O8 |
| Molecular Weight: | 598.68212 |
| InChI: | InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35?,36-/m1/s1 |
| Molecular Structure: |
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| Properties |
| Transport: | UN 2811 6.1/PG 3 |
| Density: | 1.35 g/cm3 |
| Refractive index: | 1.65 |
| Water Solubility: | Soluble in methanol (5 mg/ml), ethanol (1 mg/ml - clear, colorless solution) or DMSO (4 mg/ml). |
| Solubility: | Soluble in methanol (5 mg/ml), ethanol (1 mg/ml - clear, colorless solution) or DMSO (4 mg/ml). |
| Appearance: | Colorless or water-white film or powder |
| Storage Temperature: | 2-8°C |
| Safety Data |
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