chempirical

Friedelin

C30H50OCAS 559-74-0426.73 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C30H50O
Molar mass
426.73 g/mol
Exact mass
426.3862 Da
Melting point
263 °C
logP
8.46Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0
Stereocentres
R, S, S, S, S, S, R, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
559-74-0
SMILES
C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
InChIKey
OFMXGFHWLZPCFL-SVRPQWSVSA-N
InChI
InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 24,25,26-Trinoroleanan-3-one, 5,9,13-trimethyl-, (4β,5β,8α,9β,10α,13α,14β)-
  • D:A-Friedooleanan-3-one
  • (4β,5β,8α,9β,10α,13α,14β)-5,9,13-Trimethyl-24,25,26-trinoroleanan-3-one
  • (-)-Friedelin
  • Friedelan-3-one
  • Friedeline
  • Friedelanone
  • 3(2H)-Picenone, eicosahydro-4,4a,6b,8a,11,11,12b,14a-octamethyl-, [4R-(4α,4aα,6aβ,6bα,8aα,12aα,12bβ,14aα,14bβ)]-
  • 3(2H)-Picenone, eicosahydro-4,4a,6b,8a,11,11,12b,14a-octamethyl-, (4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-
  • NSC 55141
  • 3-Oxofriedelane

Work with Friedelin

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

Epifriedelanol16844-71-658 % similar Alpha-Boswellic acid471-66-934 % similar Taraxasteryl acetate6426-43-333 % similar Lupenone1617-70-532 % similar Hederagenin465-99-631 % similar Oleanolic acid508-02-130 % similar Echinocystic acid510-30-530 % similar

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

Same formula

Shionone10376-48-4 Taraxasterol1059-14-9 (+)-Euphol514-47-6 Lupeol545-47-1 Beta-amyrin559-70-6 Amyrin638-95-9 Lanosterol79-63-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia