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4420-65-9

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Basic Information
CAS No.: 4420-65-9
Name: 3β-[(2-O-Acetyl-6-deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolide
Article Data: 2
Molecular Structure:
Molecular Structure of 4420-65-9 (3β-[(2-O-Acetyl-6-deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolide)
Formula: C32H48O9
Molecular Weight: 576.728
Synonyms: Solanoside,mono-O-acetyl;Mono-O-acetylsolanoside;
Density: 1.26g/cm3
Boiling Point: 693.7°Cat760mmHg
Flash Point: 217.2°C
Hazard Symbols: A poison.
Safety: A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 120.75000
LogP: 3.68100
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  • MONO-o-ACETYLSOLANOSIDE

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    4420-65-9

    MONO-o-ACETYLSOLANOSIDE

    Min.Order: 1 Gram

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • MONO-o-ACETYLSOLANOSIDE

  • Casno:

    4420-65-9

    MONO-o-ACETYLSOLANOSIDE

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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Chemistry

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

Toxicity Data With Reference

1.    

ivn-cat LDLo:317 µg/kg

     JMCMAR    Journal of Medicinal Chemistry. 13 (1970),1029.

Safety Profile

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

Specification

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