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Chemical structure of Marrubiin

GC61517

Marrubiin

Also known as (1R,4S,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one

Marrubiin, isolated from Marrubium vulgare, exhibits vasorelaxant and antioedematogenic activity

ChemicalCAS465-92-9MW332.43FormulaC20H28O4
CAS number
465-92-9
Molecular weight
332.43
Formula
C20H28O4
Solubility
DMSO： 100 mg/mL (300·82 mM)
InChIKey
HQLLRHCTVDVUJB-OBHOOXMTSA-N
Catalogue number
GC61517
Brand
GLPBIO
Computed properties PubChem CID 73401 · XLogP 3.7 · TPSA 59.7 Ų · H-bond donors 1
XLogP
3.7
TPSA
59.7 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

SMILES C[C@@H]1C[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCC4=COC=C4)O)C)(C(=O)O2)C

Computed descriptors from PubChem (CID 73401), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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