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CAS No.: | 60-38-8 |
---|---|
Name: | 3-ACETYL STROPHANTHIDIN |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C25H34O7 |
Molecular Weight: | 446.541 |
Synonyms: | 5b-Card-20(22)-enolide, 3b,5,14-trihydroxy-19-oxo-,3-acetate (7CI,8CI);Strophanthidin acetate (6CI);3-Acetyl-strophanthidin;Acetylstrophanthidine;Erysimupicrone acetate;NSC 92954;Strophanthidin 3-acetate; |
EINECS: | 200-474-0 |
Density: | 1.31 g/cm3 |
Melting Point: | 246-248℃ |
Boiling Point: | 612.8 °C at 760 mmHg |
Flash Point: | 205.7 °C |
Hazard Symbols: | T+ |
Risk Codes: | 26/27/28 |
Safety: | 22-36/37/39-45 |
Transport Information: | UN 2811 |
PSA: | 110.13000 |
LogP: | 2.46900 |
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The Acetylstrophanthidin, with its CAS registry number 60-38-8, has its systematic name of (3β,5β)-3-(acetyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide. With its molecular formula of C25H34O7 and molecular weight of 446.53, it should be kept at the temperature of -20°C.
Physical properties of Acetylstrophanthidin: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 88.13 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 114.35 cm3; (9)Molar Volume: 339.2 cm3; (10)Polarizability: 45.33×10-24cm3; (11)Surface Tension: 58.6 dyne/cm; (12)Density: 1.31 g/cm3; (13)Flash Point: 205.7 °C; (14)Enthalpy of Vaporization: 104.32 kJ/mol; (15)Boiling Point: 612.8 °C at 760 mmHg; (16)Vapour Pressure: 1.4E-17 mmHg at 25°C.
When you are dealing with this chemical, you should be cautious. For a kind of very toxic chemical, it may cause damage to our body if by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Besides, do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C/1OCC(=C\1)\[C@@H]2[C@@]4([C@](O)(CC2)[C@@H]5CC[C@]3(O)C[C@@H](OC(=O)C)CC[C@]3(C=O)[C@H]5CC4)
(2)InChI:InChI=1/C25H34O7/c1-15(27)32-17-3-8-23(14-26)19-4-7-22(2)18(16-11-21(28)31-13-16)6-10-25(22,30)20(19)5-9-24(23,29)12-17/h11,14,17-20,29-30H,3-10,12-13H2,1-2H3/t17-,18+,19-,20+,22+,23-,24-,25-/m0/s1
(3)InChIKey:JLZAERUVCODZQO-VWCUIIQSBO