chempirical

Forskolin

C22H34O7CAS 66575-29-9410.51 g/mol

Open in Covalent MOL file
OOHOHOHOOO
AlcoholAlkeneEsterEtherKetone

Properties

Molecular formula
C22H34O7
Molar mass
410.51 g/mol
Exact mass
410.2305 Da
Melting point
232 °C
logP
1.52Crippen estimate
Polar surface area
113.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
R, S, R, S, S, S, S, Rin SMILES atom order

Identifiers

CAS number
66575-29-9
SMILES
C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1
InChIKey
OHCQJHSOBUTRHG-KGGHGJDLSA-N
InChI
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-
  • 1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3α,4aβ,5β,6β,6aα,10α,10aβ,10bα)]-
  • (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one
  • Coleonol
  • Colforsin
  • HL 362
  • L 75-1362B
  • ForsLean
  • NSC 357088
  • NSC 375489
  • (-)-Forskolin

Work with Forskolin

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

(7α,14R)-14-(Acetyloxy)-7-hydroxykaur-16-ene-3,15-dione80508-81-230 % similar

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

Elsewhere

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