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Chemical structure of Spathulenol

GC39080

Spathulenol

Also known as (1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

Spathulenol is isolated from Psidium guineense Sw, and has antioxidant, anti-inflammatory, antiproliferative and antimycobacterial activities· Spathulenol shows a high antioxidant activity with an IC50 of 85·60 μg/mL in the DPPH system

ChemicalCAS6750-60-3MW220.35FormulaC15H24O
CAS number
6750-60-3
Molecular weight
220.35
Formula
C15H24O
Solubility
Soluble in DMSO
InChIKey
FRMCCTDTYSRUBE-BGPZULBFSA-N
Catalogue number
GC39080
Brand
GLPBIO
Computed properties PubChem CID 92231 · XLogP 3.1 · TPSA 20.2 Ų · H-bond donors 1
XLogP
3.1
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
16

SMILES C[C@@]1(CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C)O

Computed descriptors from PubChem (CID 92231), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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