Tinnevellin glucoside

CAT: 1407-AB3255Size: 20 mgDry Ice: NoHazardous: No

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CAT#:1407-AB3255Size:20 mg

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CAS Number

80358-06-1

Purity

98% (HPLC)

Molecular Formula

C20H24O9

Molecular Weight

408.403

Chemical Information

Ethanone, 1-(6-(beta-D-glucopyranosyloxy)-1-hydroxy-8-methoxy-3-methyl-2-naphthalenyl)-

Tinnevellin glucoside has been reported in Senna alexandrina with data available.

CAS Number	80358-06-1
PubChem CID	157631
IUPAC Name	1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Molecular Formula	C20H24O9
Molecular Weight	408.4
XLogP	1.2
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	572

SMILES

CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C20H24O9/c1-8-4-10-5-11(6-12(27-3)15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3/t13-,16-,18+,19-,20-/m1/s1

InChIKey

FEZDDTIDMGTSLT-CZNQJBLBSA-N

Chemical Structure

2D Structure

CAS: 80358-06-1

CID: 157631

Formula: C20H24O9

MW: 408.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	408.4
XLogP3	1.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	408.14203234
Monoisotopic Mass	408.14203234
Topological Polar Surface Area	146 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	572
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

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Alternative Products

Catalog	Name
TBZ2644	Tinnevellin glucoside
OZ30320-01	Trans-Zeatin-9-glucoside-o-glucoside
N1556-20	Diosgenin glucoside
A3759-5	Retinyl glucoside
MD13516-01	Decyl glucoside
P-1110.0025	Octyl glucoside
FF08015-01	Farnesol glucoside
DC180481-01	Cetearyl glucoside
SAA22675-01	Khellol glucoside
MM182732-01	Methylanthranilate glucoside

Tinnevellin glucoside

Chemical Information

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