Tiliroside

• CAS: 20316-62-5
• Catalog Number: ACM20316625
• Category: Other Products
• Molecular Weight: 594.52
• Molecular Formula: C30H26O13
• Synonyms: 6''-O-trans-p-coumaroylastragalin
• IUPAC Name: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
• Canonical SMILES: C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
• InChI: InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
• InChI Key: DVGGLGXQSFURLP-VWMSDXGPSA-N
• Boiling Point: 943.9±65.0 °C
• Melting Point: 257-260 °C
• Flash Point: 311 °C
• Density: 1.68±0.1 g/ml
• Appearance: Yellow powder
• pKa: 6.20±0.40

Custom Q&A

What is the PubChem CID of tiliroside?

PubChem CID 5320686

What is the molecular formula of tiliroside?

The molecular formula of tiliroside is C30H26O13.

What are some synonyms of tiliroside?

Some synonyms of tiliroside include Tribuloside, Trans-Tiliroside, and 15M04TXR9M.

What is the molecular weight of tiliroside?

The molecular weight of tiliroside is 594.5 g/mol.

What is the IUPAC Name of tiliroside?

The IUPAC name of tiliroside is [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.

What is the InChI of tiliroside?

The InChI of tiliroside is InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1.

What is the Canonical SMILES of tiliroside?

The Canonical SMILES of tiliroside is C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O.

What is the CAS number of tiliroside?

The CAS number of tiliroside is 20316-62-5.

What is the ChEMBL ID of tiliroside?

The ChEMBL ID of tiliroside is CHEMBL266564.

What is the exact mass of tiliroside?

The exact mass of tiliroside is 594.13734088 g/mol.