Isosalvipuberulin
Basic information
- CAS
115321-32-9- Standard SMILES
Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)C1=C(CC=C2)C(=O)OC1- InChIKey
HIBSGIRHUQGFAD-SFHVURJKSA-N- Molecular formula
- C20H14O5
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.08412354
Names & identifiers
- Preferred name
- Isosalvipuberulin
- IUPAC
- (13R)-13-(furan-3-yl)-11-methyl-4,14-dioxatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),2(6),8,10,12(16)-pentaene-5,15-dione
- English name
- Isosalvipuberulin
- Molecular formula
- C20H14O5
- Molecular weight
- 334.32
Names & synonyms
Isosalvipuberulin115321-32-9Isopuberulin3H-Furo[3',4':3,4]cyclohept[1,2-f]isobenzofuran-3,10(1H)-dione,8-(3-furanyl)-4,8-dihydro-7-methyl-, (8R)-(13R)-13-(furan-3-yl)-11-methyl-4,14-dioxatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),2(6),8,10,12(16)-pentaene-5,15-dione(8r)-8-(furan-3-yl)-7-methyl-4,8-dihydro-3h-furo[3',4':3,4]cyclohepta[1,2-f][2]benzofuran-3,10(1h)-dioneorb1681164DTXSID10921671(8R)-8-(3-Furanyl)-4,8-dihydro-7-methyl-3H-furo[3',4':3,4]cyclohept[1,2-f]isobenzofuran-3,10(1H)-dione; IsopuberulinHY-N3458MFCD20260367TN5568
Show more names
AKOS0329481173H-Furo[3',4':3,4]cyclohept[1,2-f]isobenzofuran-3,10(1H)-dione, 8-(3-furanyl)-4,8-dihydro-7-methyl-, (8R)-FS-10173CS-0024289F92883(13R)-13-(3-furyl)-11-methyl-4,14-dioxatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),2(6),8,10,12(16)-pentaene-5,15-dione3H-Furo(3',4':3,4)cyclohept(1,2-f)isobenzofuran-3,10(1H)-dione, 8-(3-furanyl)-4,8-dihydro-7-methyl-, (R)-8-(Furan-3-yl)-7-methyl-4,8-dihydro-3H-furo[3',4':3,4]cyclohepta[1,2-f][2]benzofuran-3,10(1H)-dione
Database identifiers
- CAS
115321-32-9- PubChem CID
- 189288
- DTXSID
DTXSID10921671- Nikkaji
- J330.899E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 678
Chemistry & industry
Applications
UsesIsosalvipuberulin (Isopuberulin) is a diterpenoid, which can be isolated from Salvia puberula[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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