Tellimagradin I
[CAS# 79786-08-6]

Identification

• Name: Tellimagradin I
• Synonyms: D-Glucose, Cyclic 4,6-[(1S)-4,4',5,5',6,6'-Hexahydroxy[1,1'-Biphenyl]-2,2'-Dicarboxylate] 2,3-Bis(3,4,5-Trihydroxybenzoate); Aids070892; Aids-070892
• Molecular Formula: C₃₄H₂₆O₂₂
• Molecular Weight: 786.57
• CAS Registry Number: 79786-08-6
• SMILES: [C@H]2(OC(=O)C3=C(C1=C(C=C(O)C(=C1O)O)C(OC[C@H]2O)=O)C(=C(O)C(=C3)O)O)[C@H](OC(=O)C4=CC(=C(O)C(=C4)O)O)[C@@H](OC(=O)C5=CC(=C(O)C(=C5)O)O)C=O
• InChI: 1S/C34H26O22/c35-7-20(54-31(49)9-1-13(36)23(43)14(37)2-9)30(56-32(50)10-3-15(38)24(44)16(39)4-10)29-19(42)8-53-33(51)11-5-17(40)25(45)27(47)21(11)22-12(34(52)55-29)6-18(41)26(46)28(22)48/h1-7,19-20,29-30,36-48H,8H2/t19-,20+,29-,30-/m1/s1
• InChIKey: XUZYVFYOPRXTRB-GBJTXXJHSA-N

Properties

• Density: 1.862g/cm³ (Cal.)
• Boiling point: 1395.259°C at 760 mmHg (Cal.)
• Flash point: 434.34°C (Cal.)