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Tinophyllol

CAT: 1410-M39670-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M39670-05Size:50 mg
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Description
Tinophyllol, a furanoditerpenoid, is a natural product found in Arcangelisia flava MERR. Tinophyllol has good activity against Botrytis cinerea.
CAS Number
96552-83-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
374.43
Molecular Formula
C21H26O6
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Tinophyllol

Tinophyllol has been reported in Arcangelisia flava and Penianthus zenkeri with data available.

CAS Number96552-83-9
PubChem CID101607221
IUPAC Namemethyl (2S,4aS,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
Molecular FormulaC21H26O6
Molecular Weight374.4
XLogP2.7
Topological Polar Surface Area86
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity672
SMILES
C[C@@]12CC[C@@H]3C(=O)O[C@@H](C[C@]3([C@@H]1C[C@H](C=C2C(=O)OC)O)C)C4=COC=C4
InChI
InChI=1S/C21H26O6/c1-20-6-4-14-19(24)27-16(12-5-7-26-11-12)10-21(14,2)17(20)9-13(22)8-15(20)18(23)25-3/h5,7-8,11,13-14,16-17,22H,4,6,9-10H2,1-3H3/t13-,14+,16-,17+,20-,21+/m0/s1
InChIKey
OEIVLTVYSSPDHE-JHFVOUROSA-N
Chemical Structure
2D Structure
2D structure of Tinophyllol
CAS: 96552-83-9
CID: 101607221
Formula: C21H26O6
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass374.17293854
Monoisotopic Mass374.17293854
Topological Polar Surface Area86 Ų
Heavy Atom Count27
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T75510-01Tinophyllol

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