Epieudesmin

Compound Structure:

Synonyms:

(3R,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan; (+)-epieudesmin; (+)-Epieudesmine; Phillygenin methyl ether; 1H,3H-Furo(3,4-C)furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1R,3aR,4S,6aR)-

Compound ID:

NMPC-1011

PubChem ID:

7000209

Molecular Formula:

C22H26O6

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC

InChIKey:

PEUUVVGQIVMSAW-WWLNLUSPSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	386.4 g/mol
XLogP3-AA	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	386.17293854 g/mol
Monoisotopic Mass	386.17293854 g/mol
Topological Polar Surface Area	55.4Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	457
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Talinum triangulare

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