Products for Research Use Only
RegisterLogin

Secoisolariciresinol diferulate

CAT: 0926-GCA97366-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-GCA97366-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
56973-66-1
MDL Number
MFCD20260808
Smiles
COC1=C (C=CC (=C1) CC (COC (=O) C=CC2=CC (=C (C=C2) O) OC) C (CC3=CC (=C (C=C3) O) OC) COC (=O) C=CC4=CC (=C (C=C4) O) OC) O
Molecular Formula
C40H42O12
Molecular Weight
714.8 g/mol
Controlled
No

Chemical Information

9,9'-Di-O-(E)-feruloylsecoisolariciresinol

(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has been reported in Hibiscus taiwanensis, Hypericum japonicum, and other organisms with data available.

CAS Number56973-66-1
PubChem CID10439806
IUPAC Name[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC40H42O12
Molecular Weight714.8
XLogP7.1
Topological Polar Surface Area170
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Heavy Atom Count52
Formal Charge0
Complexity1040
SMILES
COC1=C(C=CC(=C1)C[C@H]([C@H](COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)CC3=CC(=C(C=C3)O)OC)COC(=O)/C=C/C4=CC(=C(C=C4)O)OC)O
InChI
InChI=1S/C40H42O12/c1-47-35-19-25(5-11-31(35)41)9-15-39(45)51-23-29(17-27-7-13-33(43)37(21-27)49-3)30(18-28-8-14-34(44)38(22-28)50-4)24-52-40(46)16-10-26-6-12-32(42)36(20-26)48-2/h5-16,19-22,29-30,41-44H,17-18,23-24H2,1-4H3/b15-9+,16-10+/t29-,30-/m0/s1
InChIKey
MOFDLYLEJWQRHD-KYHQCPCQSA-N
Chemical Structure
2D Structure
2D structure of 9,9'-Di-O-(E)-feruloylsecoisolariciresinol
CAS: 56973-66-1
CID: 10439806
Formula: C40H42O12
MW: 714.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight714.8
XLogP37.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Exact Mass714.26762677
Monoisotopic Mass714.26762677
Topological Polar Surface Area170 Ų
Heavy Atom Count52
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FR27571(+/-) -Secoisolariciresinol
FS65512(-) -Secoisolariciresinol
HKA93074-01Secoisolariciresinol diglucoside
NCA32067-01Secoisolariciresinol monoglucoside
MS08283Secoisolariciresinol diglucoside
IGA93233-01Secoisolariciresinol hydrochloride

Alternative Products

CatalogName
TB01256Secoisolariciresinol diferulate
BIDF1039-01Secoisolariciresinol
BUP23008-01(+) -Secoisolariciresinol
463889(–)-Secoisolariciresinol
AB0029(-) -Secoisolariciresinol
HY-N6071RSecoisolariciresinol (Standard)
HY-N8172R(+) -Secoisolariciresinol (Standard)
AB3415Secoisolariciresinol monoglucoside
MBS3843801-01Secoisolariciresinol diglucoside
MBS6018180-01rac Secoisolariciresinol

Popular Products