Basic information
- CAS
73341-70-5- Standard SMILES
COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)C(OC(C)=O)C(O)C(C)O1- InChIKey
GEQDLVXKRXTSSY-UHFFFAOYSA-N- Molecular formula
- C17H16O8
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.08451746
Overview
gunacin has been reported in Caeoma with data available.
Names & identifiers
- Preferred name
- Gunacin
- IUPAC
- (3,6-dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4-dihydro-2H-benzo[g]chromen-4-yl) acetate
- English name
- 4-Acetoxy-3,4-dihydro-3,6-dihydroxy-8-methoxy-2-methyl-2H-naphtho[2,3-b]pyran-5,10-dione
- Molecular weight
- 0
Names & synonyms
Gunacin73341-70-55QCC8657KT2H-Naphtho(2,3-b)pyran-5,10-dione, 4-(acetyloxy)-3,4-dihydro-3,6-dihydroxy-8-methoxy-2-methyl-(3,6-dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4-dihydro-2H-benzo[g]chromen-4-yl) acetate(3,6-dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4-dihydro-2H-benzo(g)chromen-4-yl) acetateRefChem:144786BRN 1332129UNII-5QCC8657KT2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4-dihydro-4-(acetyloxy)-3,6-dihydroxy-8-methoxy-2-methyl-5-18-05-00435 (Beilstein Handbook Reference)orb3024325
Show more names
4-Acetoxy-3,4-dihydro-3,6-dihydroxy-8-methoxy-2-methyl-2H-naphtho[2,3-b]pyran-5,10-dione
DTXSID60994072HY-N14714TN10596Q272627433,6-Dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4,5,10-tetrahydro-2H-naphtho[2,3-b]pyran-4-yl acetate
Database identifiers
- CAS
73341-70-5- PubChem CID
- 198547
- DTXSID
DTXSID60994072- UNII
- 5QCC8657KT
- Nikkaji
- J147.278J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 639
Physicochemical properties
- Boiling point
- 402.69 °C · 402.69°C (rough estimate)
- Density
- 1.3352 · 1.3352 (rough estimate)
- refractive index
- 1.443 · 1.4430 (estimate)
- LogP
- 2.304 · 2.304 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 QCC8657KT · 5QCC8657KT
Chemistry & industry
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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