(3R,3As,6S,7R,8as)-octahydro-6-methoxy-3,6,8,8-tetramethyl-1H-3A,7-methanoazulene

C₁₆H₂₈OCAS 19870-74-7236.40 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₈O
Molar mass: 236.40 g/mol
Exact mass: 236.2140 Da
logP: 4.26Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1
Stereocentres: S, S, R, S, Rin SMILES atom order

Identifiers

CAS number

19870-74-7

SMILES

CO[C@@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C

InChIKey

HRGPYCVTDOECMG-WALBABNVSA-N

InChI

InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3/t11-,12+,13-,15+,16+/m1/s1

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

Names and synonyms

3 names

1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)-
Cedrane, 8-methoxy-
1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, [3R-(3α,3aβ,6β,7β,8aα)]-

Work with (3R,3As,6S,7R,8as)-octahydro-6-methoxy-3,6,8,8-tetramethyl-1H-3A,7-methanoazulene

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

Cedryl acetate77-54-364 % similar Cedrol77-53-256 % similar (-)-Cedrene469-61-438 % similar Acetylcedrene32388-55-934 % similar

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

Same formula

Isobornyl cyclohexanol3407-42-9 4-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol66068-84-6 (-)-Ambrox6790-58-5 trans-4′-Butyl[1,1′-bicyclohexyl]-4-one92413-47-3

Elsewhere

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