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Chemical structure of Regelidine

GC39101

Regelidine

Also known as [(1S,2S,5S,6S,7S,9R,12R)-5,7-dibenzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyridine-3-carboxylate

Regelidine is a natural product isolated from the stems of Tripterygium regelii

ChemicalCAS114542-54-0MW599.67FormulaC35H37NO8
CAS number
114542-54-0
Molecular weight
599.67
Formula
C35H37NO8
Solubility
Soluble in DMSO
InChIKey
MZSHQEJWMYSZEP-IMIUDZSCSA-N
Catalogue number
GC39101
Brand
GLPBIO
Computed properties PubChem CID 13968328 · XLogP 5.2 · TPSA 121 Ų · H-bond donors 1
XLogP
5.2
TPSA
121 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
44

SMILES C[C@@]1(CC[C@@H]([C@@]2([C@]13[C@@H]([C@@H](C[C@@H]2OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C5=CN=CC=C5)C)OC(=O)C6=CC=CC=C6)O

Computed descriptors from PubChem (CID 13968328), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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