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3,4-O-dimethylcedrusin

CAT: 0931-TN6495Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6495Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166021-14-3
Bioactivity
3′,4-O-Dimethylcedrusin can improve wound healing in vivo by stimulating the formation of fibroblasts and collagen.
Smiles
COc1cc(CCCO)cc2[C@@H](CO)[C@@H](Oc12)c1ccc(OC)c(OC)c1
Molecular Formula
C21H26O6
Molecular Weight
374.433
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3',4-O-Dimethylcedrusin

3',4-O-Dimethylcedrusin has been reported in Faramea multiflora, Croton lechleri, and Croton with data available.

CAS Number166021-14-3
PubChem CID124426
IUPAC Name3-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
Molecular FormulaC21H26O6
Molecular Weight374.4
XLogP2.4
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity446
SMILES
COC1=C(C=C(C=C1)[C@@H]2[C@H](C3=C(O2)C(=CC(=C3)CCCO)OC)CO)OC
InChI
InChI=1S/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3/t16-,20+/m0/s1
InChIKey
UVPCDEDIFJYIPT-OXJNMPFZSA-N
Chemical Structure
2D Structure
2D structure of 3',4-O-Dimethylcedrusin
CAS: 166021-14-3
CID: 124426
Formula: C21H26O6
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass374.17293854
Monoisotopic Mass374.17293854
Topological Polar Surface Area77.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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