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Myricanol triacetate

CAT: 0931-TN5649Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5649Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34509-52-9
Bioactivity
Myricanol triacetate is a natural product for research related to life sciences. The catalog number is TN5649 and the CAS number is 34509-52-9.
Smiles
COc1c(OC(C)=O)c2CCCC[C@H](CCc3ccc(OC(C)=O)c(c3)-c(c2)c1OC)OC(C)=O |r|
Molecular Formula
C27H32O8
Molecular Weight
484.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Myricanol triacetate
CAS Number34509-52-9
PubChem CID13991193
IUPAC Name[(9R)-3,15-diacetyloxy-16,17-dimethoxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl] acetate
Molecular FormulaC27H32O8
Molecular Weight484.5
XLogP4.9
Topological Polar Surface Area97.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity724
SMILES
CC(=O)O[C@@H]1CCCCC2=CC(=C(C(=C2OC(=O)C)OC)OC)C3=C(C=CC(=C3)CC1)OC(=O)C
InChI
InChI=1S/C27H32O8/c1-16(28)33-21-9-7-6-8-20-15-23(26(31-4)27(32-5)25(20)35-18(3)30)22-14-19(10-12-21)11-13-24(22)34-17(2)29/h11,13-15,21H,6-10,12H2,1-5H3/t21-/m1/s1
InChIKey
BNBXVUFQYVWVAG-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of Myricanol triacetate
CAS: 34509-52-9
CID: 13991193
Formula: C27H32O8
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass484.20971797
Monoisotopic Mass484.20971797
Topological Polar Surface Area97.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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