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(±)-Dihydroguaiaretic Acid

CAT: 0572-TRC-D449715-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D449715-25MGSize:25 mg
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CAS Number
121209-88-9
Synonyms
(±)-Dihydroguaiaretic Acid
Hazard Statement
No Data Available
Smiles
COc1cc(C[C@H](C)[C@@H](C)Cc2ccc(O)c(OC)c2)ccc1O
Molecular Formula
C20 H26 O4
Molecular Weight
330.418
InChI
InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m0/s1
Additionnal Information
IUPAC name: 4-[(2S,3S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Shipping Conditions
Room Temperature

Chemical Information

(+/-)-Dihydroguaiaretic acid

(+)-Dihydroguaiaretic acid has been reported in Cinnamomum philippinense and Pycnanthus angolensis with data available.

CAS Number121209-88-9
PubChem CID12898412
IUPAC Name4-[(2S,3S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Molecular FormulaC20H26O4
Molecular Weight330.4
XLogP5
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity328
SMILES
C[C@@H](CC1=CC(=C(C=C1)O)OC)[C@@H](C)CC2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m0/s1
InChIKey
ADFOLUXMYYCTRR-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-Dihydroguaiaretic acid
CAS: 121209-88-9
CID: 12898412
Formula: C20H26O4
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass330.18310931
Monoisotopic Mass330.18310931
Topological Polar Surface Area58.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity328
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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