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Iso-Steviol

CAT: 1568-C09729-01Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C09729-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27975-19-5
SKU
C09729-25mg
Target
Others
Applications
Others
Smiles
CC12CCC3C4 (CCCC (C4CCC3 (C1) CC2=O) (C) C (=O) O) C
Molecular Formula
C20H30O3
Additionnal Information
Isosteviol (ISV) is mainly obtained by acid hydrolysis of stevioside, the sweet food additive extracted from the plant Stevia Rebaudiana Bertoni (Bertoni) . It possesses various biological activities including anti-hyperglycemic, anti-hypertensive, anti-tumor, anti-inflammatory, and antioxidant effects.
Storage Conditions
2 years -80 in solvent

Chemical Information

Isosteviol

Isosteviol is a diterpenoid.

CAS Number27975-19-5
PubChem CID99514
IUPAC Name(1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP4.3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity583
SMILES
C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O)C
InChI
InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
InChIKey
KFVUFODCZDRVSS-XGBBNYNSSA-N
Chemical Structure
2D Structure
2D structure of Isosteviol
CAS: 27975-19-5
CID: 99514
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area54.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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