Basic information
- CAS
213528-23-5- Standard SMILES
O=C1C=C2C=C[C@@H](O)C[C@@]2([C@@]23C=C[C@@H](O)C[C@@H]2OC(=O)C3)O1- InChIKey
MNYIUJSJKZPDLL-ZTJZGAFRSA-N- Molecular formula
- C16H16O6
- Average molar mass
- 304.29 g/mol
- Monoisotopic mass
- 304.09468823
Names & identifiers
- Preferred name
- (3a,7'a(2'H,6H)-Bibenzofuran)-2,2'(3H)-dione, 6',7,7',7a-tetrahydro-6,6'-dihydroxy-, (3aS,6S,6'S,7aS,7'aR)-
- IUPAC
- (6S,7aR)-7a-[(3aS,6S,7aS)-6-hydroxy-2-oxo-3,6,7,7a-tetrahydro-1-benzofuran-3a-yl]-6-hydroxy-6,7-dihydro-1-benzofuran-2-one
- English name
- Glochidiolide
- Molecular formula
- C16H16O6
- Molecular weight
- 304.3
Names & synonyms
213528-23-5(3a,7'a(2'H,6H)-Bibenzofuran)-2,2'(3H)-dione, 6',7,7',7a-tetrahydro-6,6'-dihydroxy-, (3aS,6S,6'S,7aS,7'aR)-RefChem:207819Glochidiolideorb1680397SCHEMBL30579807DTXSID50943913TN6346AKOS040763393H635936,6'-Dihydroxy-6',7,7',7a-tetrahydro-2'H,6H-[3a,7'a-bi-1-benzofuran]-2,2'(3H)-dione(3aS,6S,6'S,7aS,7'aR)-6,6'-Dihydroxy-6',7,7',7a-tetrahydro-2'H,6H-[3a,7'a-bi-1-benzofuran]-2,2'(3H)-dione
Show more names
[3a,7'a(2'H,6H)-Bibenzofuran]-2,2'(3H)-dione, 6',7,7',7a-tetrahydro-6,6'-dihydroxy-, (3aS,6S,6'S,7aS,7'aR)-
Database identifiers
- CAS
213528-23-5- PubChem CID
- 154162
- DTXSID
DTXSID50943913
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Melting point
- 210 · 210-213 °C
- Boiling point
- 674.9 · 674.9±55.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 13.09 · 13.09±0.40(Predicted)
Chemistry & industry
Applications
UsesGlochidiolide is a natural product that can be isolated from Glochidion acuminatum[1].
Suppliers6 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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