Venalot
[CAS# 39291-13-9]

Identification

• Name: Venalot
• Synonyms: 2-[3,4-Bis(2-Hydroxyethoxy)Phenyl]-5-Hydroxy-7-(2-Hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; Chromen-2-One; Sodium; Sulfuric Acid; 2-[3,4-Bis(2-Hydroxyethoxy)Phenyl]-5-Hydroxy-7-(2-Hydroxyethoxy)-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 2-Chromenone
• Molecular Formula: C₄₂H₅₀NaO₂₅S
• Molecular Weight: 1009.89
• CAS Registry Number: 39291-13-9
• SMILES: [Na].[C@@H]4(OC2=C(OC1=CC(=CC(=C1C2=O)O)OCCO)C3=CC=C(OCCO)C(=C3)OCCO)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C.C6=CC(OC7=CC=CC=C67)=O.O=[S](=O)(O)O
• InChI: 1S/C33H42O19.C9H6O2.Na.H2O4S/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36;10-9-6-5-7-3-1-2-4-8(7)11-9;;1-5(2,3)4/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3;1-6H;;(H2,1,2,3,4)/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-;;;/m0.../s1
• InChIKey: WIJKJARNQOXJNY-KVAGASMTSA-N

Properties

• Boiling point: 1058.4°C at 760 mmHg (Cal.)
• Flash point: 332°C (Cal.)