Regelidine

Catalog Number	ACM114542540
CAS Number	114542-54-0
Structure
IUPAC Name	[(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
Molecular Weight	599.67
Molecular Formula	C35H37NO8
Canonical SMILES	CC1(C2CC(C3(C(CCC(C3(C2OC(=O)C4=CN=CC=C4)O1)(C)O)OC(=O)C5=CC=CC=C5)C)OC(=O)C6=CC=CC=C6)C
InChI	InChI=1S/C35H37NO8/c1-32(2)25-20-27(42-30(38)23-14-9-6-10-15-23)34(4)26(41-29(37)22-12-7-5-8-13-22)17-18-33(3,40)35(34,44-32)28(25)43-31(39)24-16-11-19-36-21-24/h5-16,19,21,25-28,40H,17-18,20H2,1-4H3/t25-,26+,27+,28-,33+,34+,35+/m1/s1
InChI Key	MZSHQEJWMYSZEP-IMIUDZSCSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	1100
Exact Mass	599.25191714
Heavy Atom Count	44
Isomeric 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
Monoisotopic Mass	599.25191714
Topological Polar Surface Area	121Ų

Custom Q&A

What is the storage temperature recommended for Regelidine?

The recommended storage temperature for Regelidine is -20°C.

What are the synonyms for Regelidine?

The synonyms for Regelidine are 3-Pyridinecarboxylic acid (3R,5S,5aS,6S,9S,9aS,10R)-5,6-bis(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester and TWHR 3.

What is the CAS number for Regelidine?

The CAS number for Regelidine is 114542-54-0.

What is the molecular formula of Regelidine?

The molecular formula of Regelidine is C35H37NO8.

What is the molecular weight of Regelidine?

The molecular weight of Regelidine is 599.67.

In what solvent is Regelidine soluble?

Regelidine is soluble in DMSO.

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