Lagunamine

Catalog Number	ACM126721424
CAS Number	126721-42-4
IUPAC Name	Methyl (1S,11S,17R,18R)-18-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Molecular Weight	340.4
Molecular Formula	C20H24N2O3
Canonical SMILES	CC(C1C2CCN3C1C4(CC3)C5=CC=CC=C5NC4=C2C(=O)OC)O
InChI	InChI=1S/C20H24N2O3/c1-11(23)15-12-7-9-22-10-8-20(18(15)22)13-5-3-4-6-14(13)21-17(20)16(12)19(24)25-2/h3-6,11-12,15,18,21,23H,7-10H2,1-2H3/t11-,12-,15+,18+,20+/m0/s1
InChI Key	ZRLPIWDSOJCSDR-NYIPXNJDSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	632
Exact Mass	340.17869263
Heavy Atom Count	25
Isomeric SMILES	C[C@@H]([C@@H]1[C@@H]2CCN3[C@H]1[C@]4(CC3)C5=CC=CC=C5NC4=C2C(=O)OC)O
Monoisotopic Mass	340.17869263
Topological Polar Surface Area	61.8Ų

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