3-O-(6'-O-Stearoyl-beta-D-glucosyl)stigmasta-5,25(27)-dien
[CAS# 123564-58-9]

Identification

• Name: 3-O-(6'-O-Stearoyl-beta-D-glucosyl)stigmasta-5,25(27)-dien
• 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 Octadecanoate; Octadecanoic 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; Stearic 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: C₅₃H₉₂O₇
• Molecular Weight: 841.31
• CAS Registry Number: 123564-58-9
• 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(CCCCCCCCCCCCCCCCC)=O
• InChI: 1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h27,38-39,41-46,48-51,55-57H,3,8-26,28-36H2,1-2,4-7H3/t38-,39+,41?,42?,43-,44?,45?,46-,48-,49+,50-,51-,52+,53-/m1/s1
• InChIKey: OYZQYQSPKPQLFO-QZQJMBPMSA-N

Properties

• Density: 1.056g/cm³ (Cal.)
• Boiling point: 828.777°C at 760 mmHg (Cal.)
• Flash point: 220.929°C (Cal.)