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Name |
Deacetylmuldamine |
EINECS | N/A |
CAS No. | 36069-46-2 | Density | 1.09g/cm3 |
PSA | 52.49000 | LogP | 5.25010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C27H46NO2 | Boiling Point | 544.2°C at 760 mmHg |
Molecular Weight | 416.74 | Flash Point | 59°C |
Transport Information | N/A | Appearance | N/A |
Safety | An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | ||
Synonyms |
N/A |
IUPAC Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-Dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Following is the structure of Deacetylmuldamine (CAS NO.36069-46-2):
Empirical Formula: C27H45NO2
Molecular Weight: 415.6517 g/mol
Surface Tension: 45.7 dyne/cm
Density: 1.09 g/cm3
Flash Point: 59 °C
Enthalpy of Vaporization: 94.6 kJ/mol
Boiling Point: 544.2 °C at 760 mmHg
Vapour Pressure: 4.09E-14 mmHg at 25 °C
Index of Refraction of Deacetylmuldamine (CAS NO.36069-46-2): 1.563
Canonical SMILES: CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O
Isomeric SMILES: C[C@H]1CC[C@@H](NC1)[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O
InChI: InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24+,25-,26-,27-/m0/s1
InChIKey: IRRHFODGOMSPEE-FIRKVUNCSA-N
An experimental teratogen. Other experimental reproductive effects. When heated to decomposition, Deacetylmuldamine (CAS NO.36069-46-2) emits toxic fumes of NOx.
Deacetylmuldamine , its cas register number is 36069-46-2. It also can be called Deacetylmuldame ; Teinemine ; and 16,28-Secosolanid-5-ene-3,16-diol, (3-beta,16-alpha,22-alpha)- . Its classification code is Reproductive Effect.