Dimeric coniferyl acetate

CAT: 0926-JHA04640-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JHA04640-04Size:50 mg

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CAS Number

184046-40-0

MDL Number

MFCD20260748

Smiles

CC (=O) OCC=CC1=CC2=C (C (=C1) OC) OC (C2COC (=O) C) C3=CC (=C (C=C3) O) OC

Molecular Formula

C24H26O8

Molecular Weight

442.5 g/mol

Controlled

Chemical Information

Dimericconiferylacetate

Dimericconiferylacetate has been reported in Lasiolaena morii and Euphorbia lagascae with data available.

CAS Number	184046-40-0
PubChem CID	44584272
IUPAC Name	[(E)-3-[(2S,3R)-3-(acetyloxymethyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enyl] acetate
Molecular Formula	C24H26O8
Molecular Weight	442.5
XLogP	3.1
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	32
Formal Charge	0
Complexity	664

SMILES

CC(=O)OC/C=C/C1=CC2=C(C(=C1)OC)O[C@@H]([C@H]2COC(=O)C)C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C24H26O8/c1-14(25)30-9-5-6-16-10-18-19(13-31-15(2)26)23(32-24(18)22(11-16)29-4)17-7-8-20(27)21(12-17)28-3/h5-8,10-12,19,23,27H,9,13H2,1-4H3/b6-5+/t19-,23+/m0/s1

InChIKey

TYXVTGSQLKCKCF-FDTLDTTQSA-N

Chemical Structure

2D Structure

CAS: 184046-40-0

CID: 44584272

Formula: C24H26O8

MW: 442.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	442.5
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	442.16276778
Monoisotopic Mass	442.16276778
Topological Polar Surface Area	101 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	664
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Dimeric coniferyl acetate

Chemical Information

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