Norbergenin 25mg

CAT: 0628-A22466-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A22466-25Size:25 mg

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CAS Number

79595-97-4

Chemical Information

Norbergenin

Norbergenin has been reported in Peltophorum africanum, Mallotus japonicus, and other organisms with data available.

CAS Number	79595-97-4
PubChem CID	73192
IUPAC Name	(2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
Molecular Formula	C13H14O9
Molecular Weight	314.24
XLogP	-1.3
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	443

SMILES

C1=C2C(=C(C(=C1O)O)O)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)OC2=O

InChI

InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1

InChIKey

GDYGAIKPBLFCKR-YWQRSDGBSA-N

Chemical Structure

2D Structure

CAS: 79595-97-4

CID: 73192

Formula: C13H14O9

MW: 314.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.24
XLogP3	-1.3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	1
Exact Mass	314.06378202
Monoisotopic Mass	314.06378202
Topological Polar Surface Area	157 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	443
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes