Massonianoside B

CAT: 1299-RM-M011902-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M011902-02Size:25 mg

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CAS Number

188300-19-8

Synonyms

(2S,3R,4R,5R,6S) -2- (4- ((2S,3R) -7-hydroxy-3- (hydroxymethyl) -5- (3-hydroxypropyl) -2,3-dihydrobenzofuran-2-yl) -2-methoxyphenoxy) -6-methyltetrahydro-2H-pyran-3,4,5-triol

Molecular Formula

C25H32O10

Molecular Weight

492.52

Target Alternative Name

Massonianoside

Product Name Synonym

(2S,3R,4R,5R,6S) -2- (4- ((2S,3R) -7-hydroxy-3- (hydroxymethyl) -5- (3-hydroxypropyl) -2,3-dihydrobenzofuran-2-yl) -2-methoxyphenoxy) -6-methyltetrahydro-2H-pyran-3,4,5-triol

Chemical Information

Massonianoside B

(2S,3R,4R,5R,6S)-2-{4-[(2S,3R)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}-6-methyloxane-3,4,5-triol has been reported in Pseudotsuga menziesii and Picea neoveitchii with data available.

CAS Number	188300-19-8
PubChem CID	76311962
IUPAC Name	(2S,3R,4R,5R,6S)-2-[4-[(2S,3R)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-methyloxane-3,4,5-triol
Molecular Formula	C25H32O10
Molecular Weight	492.5
XLogP	0.5
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	35
Formal Charge	0
Complexity	666

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)[C@@H]3[C@H](C4=C(O3)C(=CC(=C4)CCCO)O)CO)OC)O)O)O

InChI

InChI=1S/C25H32O10/c1-12-20(29)21(30)22(31)25(33-12)34-18-6-5-14(10-19(18)32-2)23-16(11-27)15-8-13(4-3-7-26)9-17(28)24(15)35-23/h5-6,8-10,12,16,20-23,25-31H,3-4,7,11H2,1-2H3/t12-,16-,20-,21+,22+,23+,25-/m0/s1

InChIKey

PHHIEOZUONPPQY-ROQFLNLZSA-N

Chemical Structure

2D Structure

CAS: 188300-19-8

CID: 76311962

Formula: C25H32O10

MW: 492.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	492.5
XLogP3	0.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	492.19954721
Monoisotopic Mass	492.19954721
Topological Polar Surface Area	158 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	666
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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
GTR19269384	Massonianoside A
M32473-01	Massonianoside D
380784	Massonianoside B

Massonianoside B

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