3,11,15,29-Tetrahydroxystigmasta-5,24(28)-dien-7-one
[CAS# 82251-59-0]

Identification

• Name: 3,11,15,29-Tetrahydroxystigmasta-5,24(28)-dien-7-one
• Synonyms: (3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-Trihydroxy-17-[(E,1R)-6-Hydroxy-4-Isopropyl-1-Methyl-Hex-4-Enyl]-10,13-Dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-7-One; (3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-Trihydroxy-17-[(E,1R)-6-Hydroxy-4-Isopropyl-1-Methylhex-4-Enyl]-10,13-Dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-7-One; (3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-Trihydroxy-17-[(E,2R)-7-Hydroxy-5-Propan-2-Yl-Hept-5-En-2-Yl]-10,13-Dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-7-One
• Molecular Formula: C₂₉H₄₆O₅
• Molecular Weight: 474.68
• CAS Registry Number: 82251-59-0
• SMILES: [C@@H]4(CC[C@]2(C(=CC([C@H]3[C@@H]1[C@@H](C[C@H]([C@@H](CC\C(=C/CO)C(C)C)C)[C@@]1(C)C[C@H]([C@H]23)O)O)=O)C4)C)O
• InChI: 1S/C29H46O5/c1-16(2)18(9-11-30)7-6-17(3)21-14-23(33)26-25-22(32)13-19-12-20(31)8-10-28(19,4)27(25)24(34)15-29(21,26)5/h9,13,16-17,20-21,23-27,30-31,33-34H,6-8,10-12,14-15H2,1-5H3/b18-9+/t17-,20+,21-,23-,24-,25+,26+,27+,28+,29-/m1/s1
• InChIKey: FSNCUZMMSAYMRZ-ODLDNXAVSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 644.445°C at 760 mmHg (Cal.)
• Flash point: 357.546°C (Cal.)