chempirical

Sclareol

C20H36O2CAS 515-03-7308.51 g/mol

Open in Covalent MOL file
OHOH
AlcoholAlkene

Properties

Molecular formula
C20H36O2
Molar mass
308.51 g/mol
Exact mass
308.2715 Da
Melting point
104–105 °C
Boiling point
182 °C (at 1.15 Torr)
logP
4.70Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
515-03-7
SMILES
C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O
InChIKey
XVULBTBTFGYVRC-HHUCQEJWSA-N
InChI
InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 1-Naphthalenepropanol, α-ethenyldecahydro-2-hydroxy-α,2,5,5,8a-pentamethyl-, (αR,1R,2R,4aS,8aS)-
  • Labd-14-ene-8,13-diol, (13R)-
  • 1-Naphthalenepropanol, α-ethenyldecahydro-2-hydroxy-α,2,5,5,8a-pentamethyl-, [1R-[1α(R*),2β,4aβ,8aα]]-
  • (αR,1R,2R,4aS,8aS)-α-Ethenyldecahydro-2-hydroxy-α,2,5,5,8a-pentamethyl-1-naphthalenepropanol
  • (-)-Sclareol

Work with Sclareol

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

(-)-Ambrox6790-58-542 % similar Isophytol505-32-841 % similar Sclareolide564-20-538 % similar (-)-Linalool126-91-036 % similar 3,7-Dimethyl-1,6-octadien-3-ol78-70-636 % similar 3-Methyl-1-penten-3-ol918-85-436 % similar Ethyl linalool10339-55-633 % similar Geranyllinalool1113-21-931 % similar

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

Same formula

11,14-Eicosadienoic acid2091-39-6 Ethyl linoleate544-35-4

Elsewhere

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