(20R,22R,24S,25S,28R)-2beta,3beta,5,14,20,22,28-Heptahydroxy-6-Oxo-5beta-Stigmasta-7-Ene-27-Oic Acid gamma-Lactone
[CAS# 22799-11-7]

Identification

• Name: (20R,22R,24S,25S,28R)-2beta,3beta,5,14,20,22,28-Heptahydroxy-6-Oxo-5beta-Stigmasta-7-Ene-27-Oic Acid gamma-Lactone
• Synonyms: (3S,4S,5R)-5-Hydroxy-4-[(3S)-3-Hydroxy-3-[(2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-6-Oxo-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Butyl]-3-Methyl-Tetrahydropyran-2-One; (3S,4S,5R)-5-Hydroxy-4-[(3S)-3-Hydroxy-3-[(2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-6-Oxo-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Butyl]-3-Methyl-2-Tetrahydropyranone; (3S,4S,5R)-5-Hydroxy-4-[(3S)-3-Hydroxy-3-[(2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-Tetrahydroxy-6-Keto-10,13-Dimethyl-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Butyl]-3-Methyl-Tetrahydropyran-2-One
• Molecular Formula: C₂₉H₄₄O₉
• Molecular Weight: 536.66
• CAS Registry Number: 22799-11-7
• SMILES: [C@]24(C(O)(C1=CC(=O)[C@@]3(O)[C@@]([C@H]1CC2)(C[C@H](O)[C@H](O)C3)C)CC[C@@H]4[C@@](O)(CC[C@H]5[C@@H](C(OC[C@@H]5O)=O)C)C)C
• InChI: 1S/C29H44O9/c1-15-16(21(32)14-38-24(15)34)5-9-27(4,35)22-7-10-28(36)18-11-23(33)29(37)13-20(31)19(30)12-26(29,3)17(18)6-8-25(22,28)2/h11,15-17,19-22,30-32,35-37H,5-10,12-14H2,1-4H3/t15-,16-,17-,19-,20+,21-,22-,25+,26+,27-,28?,29+/m0/s1
• InChIKey: BVEKCPASWBGPLT-USDNQNGZSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 762.745°C at 760 mmHg (Cal.)
• Flash point: 248.131°C (Cal.)