Basic information
- CAS
61371-55-9- Standard SMILES
O=C1C=C2C=C[C@@H](O)[C@H](O)[C@H]2O1- InChIKey
VXWUBYBAUIHOHG-DTLFHODZSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Overview
RN given for (6alpha,7beta,7abeta)-isomer; isolated from the roots of Semiaquilegia adoxoides; structure in first source
Names & identifiers
- Preferred name
- Griffonilide
- IUPAC
- (6R,7S,7aS)-6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
- English name
- griffonilide
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
Griffonilide61371-55-9(6R,7S,7aS)-6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one2J65FBY8C4NSC-290808RefChem:144426MFCD205272912(6H)-Benzofuranone, 7,7a-dihydro-6,7-dihydroxy-, (6R,7S,7aS)-HY-N0386(6R,7S,7aS)-6,7-Dihydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one(6R,7S,7AS)-6,7-dihydroxy-7,7a-dihydrobenzofuran-2(6H)-one(6R,7S,7aS)-7,7a-Dihydro-6,7-dihydroxy-2(6H)-benzofuranone
Show more names
NSC 290808Glivenolidegriffonilide, 10 mM in DMSO[6R,(-)]-7,7aα-Dihydro-6β,7α-dihydroxybenzofuran-2(6H)-oneGriffonilide, 98%, from Semiaquilegia adoxoides(DC.)Makino2(6H)-Benzofuranone,7,7a-dihydro-6,7-dihydroxy-, (6R,7S,7aS)-(6R,7S,7aS)-6,7-dihydroxy-7,7a-dihydro-1-benzofuran-2(6H)-on...
2(6H)-Benzofuranone, 7,7a-dihydro-6,7-dihydroxy-, (6alpha,7beta,7abeta)-2(6H)-Benzofuranone, 7,7a-dihydro-6,7-dihydroxy-, [6R-(6alpha,7beta,7abeta)]-s9166[6R-(6alpha,7beta,7abeta)]-7,7a-Dihydro-6,7-dihydroxy-2(6H)-benzofuranone; NSC 290808Griffonilide (Standard)6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-oneUNII-2J65FBY8C4orb1221957
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 185 · 185-189oC
- Boiling point
- 491.2 · 491.2±45.0 °C(Predicted)
- Density
- 1.52 · 1.52
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Methanol (Slightly)
- form
- Solid
- pka
- 12.63 · 12.63±0.40(Predicted)
- color
- White to Off-White
- Major Application
- food and beverages
- InChI
- 1S/C8H8O4/c9-5-2-1-4-3-6(10)12-8(4)7(5)11/h1-3,5,7-9,11H
- InChIKey
- VXWUBYBAUIHOHG-UHFFFAOYSA-N
- SMILES
- O1C2C(C(C=CC2=CC1=O)O)O
- FDA UNII
- 2 J65FBY8C4 · 2J65FBY8C4
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 29322090
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesGriffonilide is an extract from the Semiaquilegia adoxoides root, a traditional anticancer herb.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海如吉生物科技发展有限公司
Related reactions
0 records
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Compound notes
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