chempirical

Steviol

C20H30O3CAS 471-80-7318.46 g/mol

Open in Covalent MOL file
OOHHO
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C20H30O3
Molar mass
318.46 g/mol
Exact mass
318.2195 Da
Melting point
212–213 °C
logP
4.16Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
R, S, S, R, R, Sin SMILES atom order

Identifiers

CAS number
471-80-7
SMILES
C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3
InChIKey
QFVOYBUQQBFCRH-VQSWZGCSSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Kaur-16-en-18-oic acid, 13-hydroxy-, (4α)-
  • Kaur-16-en-18-oic acid, 13-hydroxy-
  • (4α)-13-Hydroxykaur-16-en-18-oic acid
  • Hydroxydehydrostevic acid
  • 13-Hydroxykaurenoic acid
  • (-)-Steviol
  • NSC 226902
  • Ent-13-hydroxykauran-16-en-19-oic acid
  • 13-O-Glucosylsteviol

Work with Steviol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Kaurenoic acid6730-83-260 % similar Steviolbioside41093-60-154 % similar Rebaudioside B58543-17-253 % similar Rubusoside64849-39-445 % similar Stevioside57817-89-742 % similar Rebaudioside M1220616-44-341 % similar Rebaudioside G127345-21-541 % similar Rebaudioside A58543-16-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Oxymesterone145-12-0 Isosteviol27975-19-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia