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(-) -Steviol

CAT: 1299-RM-S252001-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S252001-01Size:10 mg
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CAS Number
471-80-7
Synonyms
(4R,4aS,6aR,9S,11aR,11bS) -9-hydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
Molecular Formula
C20H30O3
Molecular Weight
318.46
Target Alternative Name
(-) -Steviol
Product Name Synonym
(4R,4aS,6aR,9S,11aR,11bS) -9-hydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid

Chemical Information

Steviol

Steviol is an ent-kaurane diterpenoid that is 5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid in which the hydrogen at position 13 has been replaced by a hydroxy group. It has a role as an antineoplastic agent. It is a tertiary allylic alcohol, a monocarboxylic acid, a bridged compound, an ent-kaurane diterpenoid and a tetracyclic diterpenoid. It is a conjugate acid of a steviol(1-).

CAS Number471-80-7
PubChem CID452967
IUPAC Name(1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP3.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity583
SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O
InChI
InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1
InChIKey
QFVOYBUQQBFCRH-VQSWZGCSSA-N
Chemical Structure
2D Structure
2D structure of Steviol
CAS: 471-80-7
CID: 452967
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area57.5 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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