509-20-6
烏頭原鹼
Name
烏頭原鹼
pro_formula
C25 H41 N O9
pro_molWeight
499.597
1Identification
【Name】
烏頭原鹼
【CAS】
【MDL】
MFCD01673464
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H41 N O9
【pro_molWeight】
499.597
【Inchi】
InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11-,12-,13+,14-,15+,16+,17-,18?,19-,20+,21+,22+,23-,24+,25-/m1/s1
【InChIKey】
InChIKey=SQMGCPHFHQGPIF-JIOYIOPFSA-N
【SMILES】
CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:5
pro_acceptors:10
XLogP3:-3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
烏頭原鹼.cml
quick_release
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