Platyphyllonol

CAT: 0926-RBA13785-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-RBA13785-02Size:10 mg

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CAS Number

41137-85-3

MDL Number

MFCD20274776

Smiles

C1=CC (=CC=C1CCC (CC (=O) CCC2=CC=C (C=C2) O) O) O

Molecular Formula

C19H22O4

Molecular Weight

314.4 g/mol

Controlled

Chemical Information

(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one

(S)-1,7-Bis(4-hydroxyphenyl)-5-hydroxyheptan-3-one has been reported in Curcuma kwangsiensis, Alnus firma, and other organisms with data available.

CAS Number	41137-85-3
PubChem CID	13347313
IUPAC Name	(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
Molecular Formula	C19H22O4
Molecular Weight	314.4
XLogP	2.8
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	23
Formal Charge	0
Complexity	341

SMILES

C1=CC(=CC=C1CC[C@@H](CC(=O)CCC2=CC=C(C=C2)O)O)O

InChI

InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1

InChIKey

ZBFSUZGUYFFWGY-SFHVURJKSA-N

Chemical Structure

2D Structure

CAS: 41137-85-3

CID: 13347313

Formula: C19H22O4

MW: 314.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.4
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	314.15180918
Monoisotopic Mass	314.15180918
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	341
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
582697	Platyphyllonol
TN5703	Platyphyllonol 5-O-β-D-xylopyranoside
MBS5787808	Platyphyllonol 5-O-beta-D-xylopyranoside