MONO-o-ACETYLSOLANOSIDE

Molecule structure of Mono-O-acetylsolanoside (CAS NO.4420-65-9):

IUPAC Name: [(2R,3R,4R,5S,6S)-5-Hydroxy-2-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-
methyloxan-3-yl] acetate 
Molecular Weight: 576.71812 g/mol
Molecular Formula: C₃₂H₄₈O₉ 
Density: 1.26 g/cm³ 
Boiling Point: 693.7 °C at 760 mmHg 
Flash Point: 217.2 °C
Index of Refraction: 1.567
Molar Refractivity: 149.46 cm³
Molar Volume: 457.2 cm³
Polarizability: 59.25×10^-24 cm³
Surface Tension: 52.9 dyne/cm 
Enthalpy of Vaporization: 116.19 kJ/mol
Vapour Pressure: 2.93E-22 mmHg at 25 °C
XLogP3: 2.7
H-Bond Donor: 2
H-Bond Acceptor: 9
Rotatable Bond Count: 6
Exact Mass: 576.329833
MonoIsotopic Mass: 576.329833
Topological Polar Surface Area: 121
Heavy Atom Count: 41
Complexity: 1080
Defined Atom StereoCenter Count: 13
Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC(=O))OC)O
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O
InChI: InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28+,29-,30-,31+,32-/m0/s1
InChIKey of Mono-O-acetylsolanoside (CAS NO.4420-65-9): UYQMTWMXBKEHJQ-YDBVKHHDSA-N

A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.

 Mono-O-acetylsolanoside (CAS NO.4420-65-9) is also named as Solanoside, mono-O-acetyl- .