Basic information
- CAS
66428-89-5- Standard SMILES
C=CC1(C)CC(=O)C2(O)C(C)(O1)C(OC(C)=O)C(O)C1C(C)(C)CCC(O)C12C- InChIKey
OHCQJHSOBUTRHG-UHFFFAOYSA-N- Molecular formula
- C22H34O7
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.23045342
Names & identifiers
- Preferred name
- 6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo(f)chromen-5-yl acetate
- IUPAC
- (3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl) acetate
- English name
- Forskolin
- Molecular formula
- C22H34O7
- Molecular weight
- 410.5
Names & synonyms
DTXSID008608236,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1h-benzo[f]chromen-5-yl acetate6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo(f)chromen-5-yl acetateRefChem:1073533DTXCID90209641Forskolin Racemate66428-89-51H-Naphtho[2,1-b]pyran-1-one,5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-SR-01000075497forskolin [M+H]+UPCMLD-DP135Lopac0_000487
Show more names
ForscolineOHCQJHSOBUTRHG-UHFFFAOYSA-N1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-
CHEMBL1358402SCHEMBL14614874UPCMLD-DP135:001UPCMLD-DP135:002CHEBI:93891HMS3261B1564657-11-0Tox21_500487
Database identifiers
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 747
Physicochemical properties
- Boiling point
- 519.9 · 519.9±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 11 · 11.00±0.70(Predicted)
Chemistry & industry
Suppliers5 total
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Additional notes
DefinitionChEBI: Acetic acid (3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl) ester is a triterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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