Pterosin D

CAT: 0926-JBA16970-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-JBA16970-01Size:10 mg

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CAS Number

34169-70-5

MDL Number

MFCD20274948

Smiles

CC1=CC2=C (C (=C1CCO) C) C (=O) C (C2O) (C) C

Molecular Formula

C15H20O3

Molecular Weight

248.32 g/mol

Controlled

Chemical Information

(3R)-2,3-Dihydro-3-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1H-inden-1-one

Pterosin D has been reported in Dicksonia sellowiana, Dicksonia gigantea, and Dicksonia karsteniana with data available.

CAS Number	34169-70-5
PubChem CID	147559
IUPAC Name	(3R)-3-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one
Molecular Formula	C15H20O3
Molecular Weight	248.32
XLogP	1.8
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	337

SMILES

CC1=CC2=C(C(=C1CCO)C)C(=O)C([C@@H]2O)(C)C

InChI

InChI=1S/C15H20O3/c1-8-7-11-12(9(2)10(8)5-6-16)14(18)15(3,4)13(11)17/h7,13,16-17H,5-6H2,1-4H3/t13-/m1/s1

InChIKey

FITSCHPIOGIYJY-CYBMUJFWSA-N

Chemical Structure

2D Structure

CAS: 34169-70-5

CID: 147559

Formula: C15H20O3

MW: 248.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.32
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	248.14124450
Monoisotopic Mass	248.14124450
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	337
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
XP173000-01	Pterosin A
JBA17596	Pterosin B
KBA93843-01	Pterosin C
JBA16969-01	Pterosin Z
KBA94338-01	Pteroside D
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P