Basic information
- CAS
18779-41-4- Standard SMILES
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O- InChIKey
HGXBRUKMWQGOIE-WZBLMQSHSA-N- Molecular formula
- C20H22O6
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.14163842
Names & identifiers
- Preferred name
- Epipinoresinol
- IUPAC
- 4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
- English name
- (+)-Epipinoresinol
- Molecular formula
- C20H22O6
- Molecular weight
- 358.39
Names & synonyms
Epipinoresinol24404-50-0epi-pinoresinol6YKG9JJC1SUNII-6YKG9JJC1S(+)-epi-pinoresinolCHEBI:1328214,4'-(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol)4,4'-((1R,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXYPHENOL)PHENOL, 4,4'-((1R,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXY-PHENOL, 4,4'-(3A.BETA.,4,6,6A.BETA.-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1.ALPHA.,4.BETA.-DIYL)BIS(2-METHOXY-PHENOL, 4,4'-(TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2-METHOXY-, (1S-(1.ALPHA.,3A.ALPHA.,4.BETA.,6A.ALPHA.))-
Show more names
(+)-1-epi-Pinoresinol(1S,3aβ,6aβ)-Tetrahydro-1β,4α-bis(3-methoxy-4-hydroxyphenyl)-1H,3H-furo[3,4-c]furan(1S)-1β,4α-Bis(3-methoxy-4-hydroxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furan(1R)-1α,4β-Bis(4-hydroxy-3-methoxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furanPhenol, 4,4'-[(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-2-Methoxy-4-[[(3S)-6β-(3-methoxy-4-hydroxyphenyl)-3aα,4,6,6aα-tetrahydro-1H,3H-furo[3,4-c]furan]-3α-yl]phenol
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- Boiling point
- 556.5 · 556.5±50.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- Melting point
- 137 · 137-138 °C
- pka
- 9.54 · 9.54±0.35(Predicted)
- color
- White to off-white
- FDA UNII
- 6 YKG9JJC1S · 6YKG9JJC1S
Chemistry & industry
Applications
Uses(+)-Epipinoresinol is a lignan compound. CYP81Q3 specifically catalyzes methylenedioxy bridge (MDB) formation in (+)-Epipinoresinol to produce (+)-Pluviatilol[1].
Suppliers40 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
成都钠钶锂生物科技有限公司028-61983833 19138982515 · [email protected]
Related reactions
4 records
Compound notes
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