chempirical

Levopimaric acid

C20H30O2CAS 79-54-9302.46 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
logP
5.21Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
79-54-9
SMILES
CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C
InChIKey
RWWVEQKPFPXLGL-ONCXSQPRSA-N
InChI
InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid
  • l-Pimaric acid
  • l-Sapietic acid
  • Beta-Pimaric acid
  • .Beta.-Pimaric acid
  • Delta6,8(14)-Abietadienoic acid
  • .DELTA.6,8(14)-Abietadienoic acid
  • 13-Isopropylpodocarpa-8(14),12-dien-15-oic acid
  • Podocarpa-8(14),12-dien-15-oic acid, 13-isopropyl-
  • Levopimarate
  • L-Pimarate
  • I2-Pimaric acid
  • Podocarpa-8(14), 13-isopropyl-
  • 8(14),12-Abietadien-18-oic acid

Work with Levopimaric 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

Sodium abietate14351-66-753 % similar Isosteviol27975-19-542 % similar Steviol471-80-740 % similar Dehydroabietic acid1740-19-833 % similar Steviolbioside41093-60-131 % similar (2β,3β,4α)-2,3-Dihydroxy-27-norolean-13-ene-23,28-dioic acid1260-04-430 % similar Rebaudioside B58543-17-230 % similar D-Camphoric acid124-83-430 % 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 Kaurenoic acid6730-83-2

Elsewhere

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