Neohydnocarpin
[CAS# 71417-57-7]

Identification

• Name: Neohydnocarpin
• Synonyms: (5S,6S)-2,3,8,10-Tetrahydroxy-5-(4-Hydroxy-3-Methoxy-Phenyl)-6-(Hydroxymethyl)-5,6-Dihydrobenzo[C]Xanthen-7-One; (5S,6S)-2,3,8,10-Tetrahydroxy-5-(4-Hydroxy-3-Methoxy-Phenyl)-6-Methylol-5,6-Dihydrobenzo[C]Xanthen-7-One; 7H-Benzo(C)Xanthen-7-One, 5,6-Dihydro-2,3,8,10-Tetrahydroxy-5-(4-Hydroxy-3-Methoxyphenyl)-6-(Hydroxymethyl)-, Cis-(-)-
• Molecular Formula: C₂₅H₂₀O₉
• Molecular Weight: 464.43
• CAS Registry Number: 71417-57-7
• SMILES: [C@H]3([C@@H](C2=C(OC1=CC(=CC(=C1C2=O)O)O)C4=C3C=C(O)C(=C4)O)CO)C5=CC(=C(O)C=C5)OC
• InChI: 1S/C25H20O9/c1-33-19-4-10(2-3-15(19)28)21-12-7-16(29)17(30)8-13(12)25-22(14(21)9-26)24(32)23-18(31)5-11(27)6-20(23)34-25/h2-8,14,21,26-31H,9H2,1H3/t14-,21-/m0/s1
• InChIKey: MDUXUIQALBEIGB-QKKBWIMNSA-N

Properties

• Density: 1.722g/cm³ (Cal.)
• Boiling point: 804.792°C at 760 mmHg (Cal.)
• Flash point: 280.708°C (Cal.)