chempirical

Kaurenoic acid

C20H30O2CAS 6730-83-2302.46 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C20H30O2
Molar mass
302.46 g/mol
Exact mass
302.2246 Da
Melting point
171–172 °C
logP
5.04Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
S, S, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6730-83-2
SMILES
C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CCC1C3
InChIKey
NIKHGUQULKYIGE-MHHCCDILSA-N
InChI
InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14?,15-,16-,18+,19+,20+/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • Kaur-16-en-18-oic acid, (4α)-
  • (4α)-Kaur-16-en-18-oic acid
  • (-)-Kauren-19-oic acid
  • Ent-Kaurenoic acid
  • (-)-Kaur-16-en-19-oic acid
  • Kaurenic acid
  • Cunabic acid
  • Ent-Kaur-16(17)-en-19-oic acid
  • Ent-Kaur-16-en-19-oic acid
  • NSC 339145

Work with Kaurenoic acid

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

Steviol471-80-760 % similar Isosteviol27975-19-558 % similar Steviolbioside41093-60-147 % similar Rebaudioside B58543-17-246 % similar Rubusoside64849-39-438 % similar Stevioside57817-89-736 % similar Rebaudioside M1220616-44-335 % similar Rebaudioside G127345-21-535 % similar

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

Same formula

Eicosapentaenoic acid10417-94-4 Methenolone153-00-4 Mibolerone3704-09-4 Abietic acid514-10-3 Norethandrolone52-78-8 Methyltestosterone58-18-4 Methyl-1-testosterone65-04-3 Levopimaric acid79-54-9

Elsewhere

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