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Steviolbioside

CAT: 1299-RM-S252000-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S252000-04Size:100 mg
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CAS Number
41093-60-1
Molecular Formula
C32H50O13
Molecular Weight
642.74
Product Name Synonym
(4R,4aS,6aR,9S,11aR,11bS) -9- (((2S,3R,4S,5S,6R) -4,5-dihydroxy-6- (hydroxymethyl) -3- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) tetrahydro-2H-pyran-2-yl) oxy) -4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohept

Chemical Information

Steviolbioside

Steviolbioside is a beta-D-glucoside that is steviolmonoside in which the hydroxy group at position 2 of the glucoside moiety has been converted into its beta-D-glucoside. It has a role as an antitubercular agent, a sweetening agent and a plant metabolite. It is a beta-D-glucoside, a monocarboxylic acid, a bridged compound, an ent-kaurane diterpenoid, a tetracyclic diterpenoid and a diterpene glycoside. It is functionally related to a steviolmonoside. It is a conjugate acid of a steviolbioside(1-).

CAS Number41093-60-1
PubChem CID16401639
IUPAC Name(1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular FormulaC32H50O13
Molecular Weight642.7
XLogP0.6
Topological Polar Surface Area216
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity1150
SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O
InChI
InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1
InChIKey
OMHUCGDTACNQEX-OSHKXICASA-N
Chemical Structure
2D Structure
2D structure of Steviolbioside
CAS: 41093-60-1
CID: 16401639
Formula: C32H50O13
MW: 642.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight642.7
XLogP30.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass642.32514165
Monoisotopic Mass642.32514165
Topological Polar Surface Area216 Ų
Heavy Atom Count45
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B8452-50Steviolbioside
HY-N2547RSteviolbioside (Standard)
CS-T-104062Steviolbioside (13CD2)

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