Delsoline

Catalog	BBC509182
CAS	509-18-2
Structure
Synonyms	14-O-Methyldelcosine
IUPAC Name	(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol
Molecular Weight	467.6
Molecular Formula	C25H41NO7
Canonical SMILES	CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)O)COC
InChI	InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1
InChI Key	JVBLTQQBEQQLEV-YAEAOFIFSA-N
Boiling Point	576.0±50.0 °C
Melting Point	214 °C
Purity	98%
Density	1.31±0.1 g/ml
Appearance	Powder
pKa	12.36±0.70