3-O-(6'-O-Palmitoylglucosyl)stigmasta-5,25(27)-diene
[CAS# 123564-57-8]

Identification

• Name: 3-O-(6'-O-Palmitoylglucosyl)stigmasta-5,25(27)-diene
• Synonyms: [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(1R,4S)-4-Ethyl-1,5-Dimethyl-Hex-5-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Hexadecanoate; Hexadecanoic Acid [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(1R,4S)-4-Ethyl-1,5-Dimethylhex-5-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methyl Ester; Palmitic Acid [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(1R,4S)-4-Ethyl-1,5-Dimethyl-Hex-5-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₅₁H₈₈O₇
• Molecular Weight: 813.25
• CAS Registry Number: 123564-57-8
• SMILES: [C@H]5(OC4CC[C@]2(C(=CCC3C1CC[C@H]([C@@H](CC[C@H](CC)C(=C)C)C)[C@@]1(C)CCC23)C4)C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)COC(CCCCCCCCCCCCCCC)=O
• InChI: 1S/C51H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h25,36-37,39-44,46-49,53-55H,3,8-24,26-34H2,1-2,4-7H3/t36-,37+,39?,40?,41-,42?,43?,44-,46-,47+,48-,49-,50+,51-/m1/s1
• InChIKey: FLNRGRHFRBLUIT-SLOCDVDJSA-N

Properties

• Density: 1.063g/cm³ (Cal.)
• Boiling point: 812.002°C at 760 mmHg (Cal.)
• Flash point: 218.889°C (Cal.)