Basic information
- CAS
111103-90-3- Standard SMILES
O=C1c2c(O)cc(O)cc2OC12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3)O[C@@H]2c1ccc(O)cc1- InChIKey
BYBKYSAHKVMKNH-OULVJXPGSA-N- Molecular formula
- C30H22O10
- Average molar mass
- 542.5 g/mol
- Monoisotopic mass
- 542.12129689
Overview
See also: Genkwanol A (annotation moved to).
Names & identifiers
- Preferred name
- (2'R,3'S,8'R)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one
- IUPAC
- (2'R,3'S,8'R)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one
- English name
- genkwanol A
- Molecular formula
- C30H22O10
- Molecular weight
- 542.49
Names & synonyms
Genkwanol A111103-90-3(2'R,3'S,8'R)-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-oneDTXSID50911990(2'R,3'S,8'R)-3',4,5',6-Tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,3H,8'H-spiro[[1]benzofuran-2,9'-furo[2,3-h][1]benzopyran]-3-one(2R,3S,8R)-3,4',5,6'-tetrahydroxy-2,8-bis(4-hydroxyphenyl)spiro[2,3,4,8-tetrahydrofuro[2,3-h]chromene-9,2'-benzofuran]-3'-one3',4,5',6-Tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,3H,8'H-spiro[1-benzofuran-2,9'-furo[2,3-h][1]benzopyran]-3-oneSpiro(benzofuran-2(3H),9'(8'H)-(2H)furo(2,3-h)(1)benzopyran)-3-one, 3',4'-dihydro-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-, (2'R-(2'alpha,3'beta,8'alpha,9'alpha))-Spiro[benzofuran-2(3H),9'(8'H)-[2H]furo[2,3-h]-[1]benzopyran]-3-one,3',4'-dihydro-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-, (2R,2'R,3'S,8'R)-Spiro[benzofuran-2(3H),9'(8'H)-[2H]furo[2,3-h][1]benzopyran]-3-one, 3',4'-dihydro-3',4,5',6-tetrahydroxy-2',8'-bis(4-hydroxyphenyl)-, (2R,2'R,3'S,8'R)-
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 947
Physicochemical properties
- Boiling point
- 909.3 · 909.3±65.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 6.94 · 6.94±0.70(Predicted)
Chemistry & industry
Suppliers9 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
上海宾穗生物科技有限公司18301908279 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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