Basic information
- CAS
29106-36-3- Standard SMILES
COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(OC)c(OC)c2)cc1OC- InChIKey
PEUUVVGQIVMSAW-RZTYQLBFSA-N- Molecular formula
- C22H26O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.17293854
Overview
(+)-Eudesmin is a lignan.
Names & identifiers
- Preferred name
- (+)-Eudesmin
- IUPAC
- (3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
- English name
- Pinoresinol diMethyl ether
- Molecular formula
- C22H26O6
- Molecular weight
- 386.44
Names & synonyms
Pinoresinol dimethyl ether(+)-Eudesmin29106-36-3EudesminPinoresinol, O,O-dimethyl-526-06-7(+)-pinoresinol dimethyl ether(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan3TPV0HJ9B0NSC 35476UNII-3TPV0HJ9B0(1S,3.ALPHA.R,4S,6.ALPHA.R)-1,4-BIS(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN
Show more names
(+)-Eudesmin-RMPinoresinol dimethyl ether (Standard)Pinoresinol dimethyl ether, 10 mM in DMSO(1S,3aR,4S,6aR)-1,4-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan1H,3H-Furo[3,4-c]furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1S,3aR,4S,6aR)-
Di-O-methylpinoresnol(1S,3alphaR,4S,6alphaR)-1,4-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-C)furan1H,3H-Furo(3,4-c)furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1R-(1alpha,3aalpha,4alpha,6aalpha))-(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furanDimethyl pinoresinolO,O-DimethylpinoresinolRefChem:673661H,3H-Furo[3,4-c]furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-(-)-
Database identifiers
- CAS
29106-36-3、526-06-7- PubChem CID
- 73117
- DTXSID
DTXSID50951699- ChEMBL
CHEMBL519099- ChEBI
CHEBI:23- UNII
- 3TPV0HJ9B0
- EC Number
- 637-069-7
- Nikkaji
- J276.914J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Melting point
- 107 · 107-108℃
- Boiling point
- 517.3 · 517.3±50.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- storage temp.
- 4 ℃,protect · Store at 4℃,protect from light
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
- Major Application
- food and beverages
- InChI
- 1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1
- InChIKey
- PEUUVVGQIVMSAW-RZTYQLBFSA-N
- SMILES
- O1[C@@H]([C@@H]3[C@@H]([C@H](OC3)c4cc(c(cc4)OC)OC)C1)c2cc(c(cc2)OC)OC
- FDA UNII
- 3 TPV0HJ9B0 · 3TPV0HJ9B0
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usesfood and beverages
Suppliers93 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
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天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
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成都钠钶锂生物科技有限公司028-61983833 19138982515 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
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Wuhan ChemNorm Biotech Co.,Ltd.+86-27-8439 4403 18971486879 · [email protected]
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上海源叶生物科技有限公司18916372613 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Additional notes
DefinitionChEBI: (+)-Eudesmin is a lignan.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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