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Blumenol B 9-O-glucoside

CAT: 0013-GTR19179825Size: 5 mgDry Ice: NoHazardous: No
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Description
Blumenol B 9-O-glucoside (CAS 114226-08-3) is a natural compound used in life science research. It serves as a reference standard in phytochemical studies and is investigated in vitro for its potential biological activities.
CAS Number
114226-08-3
Smiles
C[C@H] (CC[C@@]1 (O) C (C) =CC (=O) CC1 (C) C) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C19H32O8
Molecular Weight
388.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dihydrovomifoliol-O-Beta-D-Glucopyranoside

Icariside B5 is an O-acyl carbohydrate.

CAS Number114226-08-3
PubChem CID14135399
IUPAC Name(4S)-4-hydroxy-3,5,5-trimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one
Molecular FormulaC19H32O8
Molecular Weight388.5
XLogP-0.8
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity574
SMILES
CC1=CC(=O)CC([C@]1(CC[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C
InChI
InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1
InChIKey
CZYPGTRKJFYXLT-SUHXYMONSA-N
Chemical Structure
2D Structure
2D structure of Dihydrovomifoliol-O-Beta-D-Glucopyranoside
CAS: 114226-08-3
CID: 14135399
Formula: C19H32O8
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP3-0.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass388.20971797
Monoisotopic Mass388.20971797
Topological Polar Surface Area137 Ų
Heavy Atom Count27
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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