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Chemical structure of Dimethyl isorosmanol

GC71973

Dimethyl isorosmanol

Also known as (1R,8R,9R,10S)-9-hydroxy-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

Dimethyl isorosmanol (11,12-Di-O-methylisorosmanol) is a compound that can be isolated form Rosmarinus officinalis

ChemicalCAS116064-19-8MW374.47FormulaC22H30O5
CAS number
116064-19-8
Molecular weight
374.47
Formula
C22H30O5
Solubility
DMSO : 25 mg/mL (66·76 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
PDASRADGYGKBBS-BXYJTDFISA-N
Catalogue number
GC71973
Brand
GLPBIO
Computed properties PubChem CID 13820518 · XLogP 4.1 · TPSA 65 Ų · H-bond donors 1
XLogP
4.1
TPSA
65 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27

SMILES CC(C)C1=C(C(=C2C(=C1)[C@@H]3[C@@H]([C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)OC)OC

Computed descriptors from PubChem (CID 13820518), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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