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Sitosteryl maltoside

CAT: 0013-GTR19281065-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281065-02Size:10 mg
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Description
Sitosteryl maltoside is a sterol glycoside. It is used in studies focused on the growth of oat germ sheath segments.
CAS Number
40653-10-9
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@]4 (C) C (=CC3) C[C@@H] (O[C@@H]5O[C@H] (CO) [C@@H] (O[C@H]6O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]6O) [C@H] (O) [C@H]5O) CC4) (CC1) [H]) [H]) (CC[C@@]2 ([C@@H] (CC[C@H] (C (C) C) CC) C) [H]) [H]
Molecular Formula
C41H70O11
Molecular Weight
739
Notes
For research use only.

Chemical Information

(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Number40653-10-9
PubChem CID178421478
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC41H70O11
Molecular Weight739.0
XLogP5.6
Topological Polar Surface Area179
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count52
Formal Charge0
Complexity1220
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)C)C(C)C
InChI
InChI=1S/C41H70O11/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-18-25(14-16-40(24,5)29(26)15-17-41(27,28)6)49-38-36(48)34(46)37(31(20-43)51-38)52-39-35(47)33(45)32(44)30(19-42)50-39/h10,21-23,25-39,42-48H,7-9,11-20H2,1-6H3/t22-,23-,25+,26+,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-,37-,38-,39-,40+,41-/m1/s1
InChIKey
ICZPAGAZSAUKMA-LMJKNBLKSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CAS: 40653-10-9
CID: 178421478
Formula: C41H70O11
MW: 739.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight739.0
XLogP35.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass738.49181304
Monoisotopic Mass738.49181304
Topological Polar Surface Area179 Ų
Heavy Atom Count52
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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