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Chemical structure of Randialic acid B

GC66363

Randialic acid B

Also known as (2R,4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid

Randialic acid B, a triterpenoid compound, is a formyl peptide receptor 1 (FPR1) antagonist· Randialic acid B blocks FPR1 in human neutrophils and attenuates psoriasis-like inflammation in vivo

ChemicalCAS14021-14-8MW454.68FormulaC30H46O3
CAS number
14021-14-8
Molecular weight
454.68
Formula
C30H46O3
Solubility
DMSO ： 100 mg/mL (219·93 mM; ultrasonic and warming and heat to 60°C)
InChIKey
GPQBTLJRTQXVOM-UORVSENQSA-N
Catalogue number
GC66363
Brand
GLPBIO
Computed properties PubChem CID 12444674 · XLogP 6.5 · TPSA 57.5 Ų · H-bond donors 2
XLogP
6.5
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
33

SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C2=C1C)C)C(=O)O

Computed descriptors from PubChem (CID 12444674), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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