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Chemical structure of Cimigenol

GC35696

Cimigenol

Also known as (1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-2,9-diol

Cimigenol is an active compound isolated from Cimicifuga, with potent anti-tumor activity

ChemicalCAS3779-59-7MW488.7FormulaC30H48O5
CAS number
3779-59-7
Molecular weight
488.7
Formula
C30H48O5
Solubility
Soluble in DMSO
InChIKey
CNBHUROFMYCHGI-IEUUZZHOSA-N
Catalogue number
GC35696
Brand
GLPBIO
Computed properties PubChem CID 16020000 · XLogP 5.2 · TPSA 79.2 Ų · H-bond donors 3
XLogP
5.2
TPSA
79.2 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
35

SMILES C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O)C)O2)C(C)(C)O

Computed descriptors from PubChem (CID 16020000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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