SPATHULENOL CAS#6750‑60‑3
Spathulenol represents a naturally‑occurring tricyclic sesquiterpenoid built upon a 4‑methylidenedecahydro‑1H‑cyclopropa[e]azulene parent framework. Its molecular structure bears three methyl substituents located at positions 1, 1 and 7, together with one hydroxyl functional group attached to position 7 of the ring skeleton. Widely identified within plant‑derived volatile essential‑oil fractions, this compound acts as a typical plant secondary metabolite with documented biological profiles including anaesthetic and vasodilator‑related effects. From chemical classification perspectives, it falls into multiple compound families: sesquiterpenoid derivatives, carbocyclic tricyclic substances, tertiary alcohols as well as olefin‑containing molecules. It serves as a valuable research material for phytochemical characterisation, bio‑activity evaluation and natural‑product‑oriented derivative development work.
SPATHULENOL Chemical Properties |
Boiling point | 284.7 °C |
density | 1.02±0.1 g/cm3(Predicted) |
form | Liquid |
pka | 15.10±0.40(Predicted) |
color | Colorless to light yellow |
Odor | at 100.00 %. earthy herbal fruity |
Odor Type | earthy |
InChI | InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1 |
InChIKey | FRMCCTDTYSRUBE-BGPZULBFSA-N |
SMILES | C1[C@]2([H])[C@]([H])([C@]3([H])C(C)(C)[C@]3([H])CCC2=C)[C@@](C)(O)C1 |
LogP | 4.406 (est) |
Product Application of SPATHULENOL CAS#6750‑60‑3
Spathulenol is a natural sesquiterpenoid compound that can be extracted and purified from Aristolochia yunnanensis. Multiple pharmacological studies confirm it possesses valuable biological properties including antioxidant, anti‑inflammatory, antiproliferative as well as antimycobacterial effects for laboratory research evaluation. In classic in‑vitro DPPH free‑radical scavenging assay, this compound demonstrates prominent antioxidant capacity, with a tested IC₅₀ value of 85.60 μg/mL recorded in published literature[1]. It is widely adopted as key test material for phytochemical investigation, bio‑activity screening and natural‑product‑related mechanism exploratory experiments.
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