(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-4a-[[(Z)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]-1,2,6b,9,9,12a-Hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydro-1H-Picene-6a-Carboxylic Acid
[CAS# 165171-15-3]

Identification

• Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-4a-[[(Z)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxymethyl]-1,2,6b,9,9,12a-Hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydro-1H-Picene-6a-Carboxylic Acid
• Synonyms: (1S,2R,4As,6Ar,6Ar,6Br,8Ar,10S,12Ar,14Bs)-10-Hydroxy-4A-[[(Z)-3-(4-Hydroxyphenyl)-1-Oxoprop-2-Enoxy]Methyl]-1,2,6B,9,9,12A-Hexamethyl-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydro-1H-Picene-6A-Carboxylic Acid; (1S,2R,4As,6Ar,6Ar,6Br,8Ar,10S,12Ar,14Bs)-10-Hydroxy-4A-[[(Z)-3-(4-Hydroxyphenyl)Acryloyl]Oxymethyl]-1,2,6B,9,9,12A-Hexamethyl-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydro-1H-Picene-6A-Carboxylic Acid; (3Beta,28(Z))-3-Hydroxy-28-((3-(4-Hydroxyphenyl)-1-Oxo-2-Propenyl)Oxy)Urs-12-En-27-Oic Acid
• Molecular Formula: C₃₉H₅₄O₆
• Molecular Weight: 618.85
• CAS Registry Number: 165171-15-3
• SMILES: [C@]25(C(=CC[C@@H]3[C@]1(CC[C@@H](C([C@@H]1CC[C@@]23C)(C)C)O)C)[C@@H]4[C@H]([C@H](C)CC[C@@]4(CC5)COC(\C=C/C6=CC=C(C=C6)O)=O)C)C(=O)O
• InChI: 1S/C39H54O6/c1-24-15-20-38(23-45-32(42)14-9-26-7-10-27(40)11-8-26)21-22-39(34(43)44)28(33(38)25(24)2)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-12,14,24-25,29-31,33,40-41H,13,15-23H2,1-6H3,(H,43,44)/b14-9-/t24-,25+,29+,30-,31+,33+,36+,37-,38-,39-/m1/s1
• InChIKey: AMRCFELIZUVBKY-APYUJPLLSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 725.084°C at 760 mmHg (Cal.)
• Flash point: 218.006°C (Cal.)