Aristoloside
[CAS# 84014-70-0]

Identification

• Name: Aristoloside
• Synonyms: 8-Methoxy-6-Nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Naphtho[2,1-G][1,3]Benzodioxole-5-Carboxylic Acid; 8-Methoxy-6-Nitro-10-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5-Naphtho[2,1-G][1,3]Benzodioxolecarboxylic Acid; 8-Methoxy-6-Nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Naphtho[2,1-G][1,3]Benzodioxole-5-Carboxylic Acid
• Molecular Formula: C₂₃H₂₁NO₁₃
• Molecular Weight: 519.42
• CAS Registry Number: 84014-70-0
• SMILES: [C@H]5(OC4=CC1=C(C=C(C2=C1C3=C(C=C2C(=O)O)OCO3)[N+]([O-])=O)C(=C4)OC)[C@@H]([C@@H](O)[C@@H]([C@H](O5)CO)O)O
• InChI: 1S/C23H21NO13/c1-33-13-3-8(36-23-20(28)19(27)18(26)15(6-25)37-23)2-10-9(13)4-12(24(31)32)16-11(22(29)30)5-14-21(17(10)16)35-7-34-14/h2-5,15,18-20,23,25-28H,6-7H2,1H3,(H,29,30)/t15-,18-,19+,20-,23-/m1/s1
• InChIKey: GMKHAVDYTAXBIY-BSTKLLGTSA-N

Properties

• Density: 1.707g/cm³ (Cal.)
• Boiling point: 865.911°C at 760 mmHg (Cal.)
• Flash point: 477.486°C (Cal.)