Yuanhuacin
[CAS# 66673-22-1]

Identification

• Name: Yuanhuacin
• Synonyms: Odoracin; Simplexin, 12-(Benzoyloxy)-22,23,24,25-Tetradehydro-, (12-Beta,22E,24E)-; Stillingia Factor S(Sub 6)
• Molecular Formula: C₃₇H₄₄O₁₀
• Molecular Weight: 648.75
• CAS Registry Number: 66673-22-1
• SMILES: [C@@]57([C@H]([C@@H]1[C@]2([C@H](C)[C@H]([C@]3([C@@H]1OC(/C=C/C=C/CCCCC)(O2)O3)C(=C)C)OC(=O)C4=CC=CC=C4)[C@H]6[C@]([C@@H]5O)(C(C(=C6)C)=O)O)O7)CO
• InChI: 1S/C37H44O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h10-19,23,25-26,28-30,32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,26+,28-,29+,30-,32-,33+,34?,35-,36+,37+/m1/s1
• InChIKey: CGSGRJNIABXQJQ-CAAOHEDASA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 765.903°C at 760 mmHg (Cal.)
• Flash point: 236.865°C (Cal.)