(3b)-stigmast-5-en-3-yl beta-D-Glucopyranoside 6-(9Z)-9-octadecenoate
[CAS# 53657-29-7]

Identification

• Name: (3b)-stigmast-5-en-3-yl beta-D-Glucopyranoside 6-(9Z)-9-octadecenoate
• Synonyms: [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-Ethyl-1,5-Dimethyl-Hexyl]-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 (Z)-Octadec-9-Enoate; (Z)-Octadec-9-Enoic Acid [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-Ethyl-1,5-Dimethylhexyl]-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; (Z)-Octadec-9-Enoic Acid [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-Ethyl-1,5-Dimethyl-Hexyl]-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: 53657-29-7
• SMILES: [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)CCCCCCC\C=C/CCCCCCCC)O[C@@H]3CC2=CC[C@@H]4[C@@H]([C@]2(CC3)C)CC[C@]5([C@H]4CC[C@@H]5[C@@H](CC[C@@H](C(C)C)CC)C)C)O)O)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/h16-17,27,37-39,41-46,48-51,55-57H,8-15,18-26,28-36H2,1-7H3/b17-16-/t38-,39+,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1
• InChIKey: MEEONOMPSMYAQO-JXJRCNQOSA-N

Properties

• Density: 1.058g/cm³ (Cal.)
• Boiling point: 832.005°C at 760 mmHg (Cal.)
• Flash point: 222.058°C (Cal.)