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8-O-Acetyltorilolone

CAT: 0931-TN3289Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3289Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20482-21-7
Target
Others
Related Pathways
Others
Bioactivity
8-O-Acetyltorilolone is a natural product for research related to life sciences. The catalog number is TN3289 and the CAS number is 20482-21-7.
Smiles
C[C@H]1C[C@@H](OC(C)=O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O
Molecular Formula
C17H26O4
Molecular Weight
294.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-O-Acetyltorilolone
CAS Number20482-21-7
PubChem CID100932311
IUPAC Name[(5S,6R,8S,8aR)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] acetate
Molecular FormulaC17H26O4
Molecular Weight294.4
XLogP1.6
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity489
SMILES
C[C@H]1C[C@H]([C@H](CC2=C(C(=O)C[C@H]12)C)C(C)(C)O)OC(=O)C
InChI
InChI=1S/C17H26O4/c1-9-6-16(21-11(3)18)14(17(4,5)20)7-13-10(2)15(19)8-12(9)13/h9,12,14,16,20H,6-8H2,1-5H3/t9-,12+,14-,16+/m0/s1
InChIKey
WGWWLRBCCJXTGQ-UODBANLJSA-N
Chemical Structure
2D Structure
2D structure of 8-O-Acetyltorilolone
CAS: 20482-21-7
CID: 100932311
Formula: C17H26O4
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass294.18310931
Monoisotopic Mass294.18310931
Topological Polar Surface Area63.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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