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Chemical structure of Nagilactone B

GC31314

Nagilactone B

Also known as (1S,8R,9S,12S,14R,15S,16R)-8,14,15-trihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione

Nagilactone B is a liver X receptor (LXR) agonist

ChemicalCAS19891-51-1MW364.39FormulaC19H24O7
CAS number
19891-51-1
Molecular weight
364.39
Formula
C19H24O7
Solubility
Soluble in DMSO
InChIKey
AEGWYWSJGKOLGB-ZLNDBNLZSA-N
Catalogue number
GC31314
Brand
GLPBIO
Computed properties PubChem CID 3084329 · XLogP -0.2 · TPSA 113 Ų · H-bond donors 3
XLogP
-0.2
TPSA
113 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
26

SMILES CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@](C[C@H]([C@H]([C@@]4(C2=CC(=O)O1)C)O)O)(C(=O)O3)C)O

Computed descriptors from PubChem (CID 3084329), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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