Daphnodorin C
[CAS# 95733-04-3]

Identification

• Name: Daphnodorin C
• Synonyms: (2S,8S,9S)-4',5,6'-Trihydroxy-2,8-Bis(4-Hydroxyphenyl)Spiro[2,3,4,8-Tetrahydrofuro[5,4-H]Chromene-9,2'-Benzofuran]-3'-One; (2S,8S,9S)-4',5,6'-Trihydroxy-2,8-Bis(4-Hydroxyphenyl)-3'-Spiro[2,3,4,8-Tetrahydrofuro[5,4-H]Chromene-9,2'-Benzofuran]One; Daphnodorin
• Molecular Formula: C₃₀H₂₂O₉
• Molecular Weight: 526.50
• CAS Registry Number: 95733-04-3
• SMILES: [C@]13(OC2=C(C1=O)C(=CC(=C2)O)O)C5=C(O[C@H]3C4=CC=C(O)C=C4)C=C(O)C6=C5O[C@@H](CC6)C7=CC=C(O)C=C7
• InChI: 1S/C30H22O9/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)37-22)30(29(38-24)15-3-7-17(32)8-4-15)28(36)25-21(35)11-18(33)12-23(25)39-30/h1-8,11-13,22,29,31-35H,9-10H2/t22-,29-,30+/m0/s1
• InChIKey: ISQNBCHHDNWNEQ-TVNVSJRUSA-N

Properties

• Density: 1.705g/cm³ (Cal.)
• Boiling point: 865.526°C at 760 mmHg (Cal.)
• Flash point: 293.862°C (Cal.)