Chemical Properties of Gelsemine (CAS 509-15-9)

InChI

InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)

InChI Key

NFYYATWFXNPTRM-UHFFFAOYSA-N

Formula

C20H22N2O2

SMILES

C=CC12CN(C)C3C4COC(CC41)C1(C(O)=Nc4ccccc41)C32

Molecular Weight¹

322.40

CAS

509-15-9

Other Names

• Spiro[3,5,8-ethanylylidene-1H-pyrano[3,4-c]pyridine-10,3'-[3H]indol]-2'(1'H)-one, 5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methyl-
• Spiro[3,5,8-ethanylylidene-1H-pyrano[3,4-c]pyridine-10,3'-[3H]indol]-2'(1'H)-one, 5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methyl-, [3R-(3«alpha»,4a«beta»,5«alpha»,8«alpha»,8a«beta»,9S*,10S*)]-
• Gelsemin
• Spiro[3,5,8-ethanylylidene-1H-pyrano[3,4-c]pyridine-10,3'-[3H]indole] , gelsemine deriv.
• [3R-(3«alpha»,4a«beta»,5«alpha»,8«alpha»,8a«beta»,9S*,10S*)]-5-Etheny l-3,4,4a,5,6,7,8,8a-octahydro-7-methylspiro[3,5,8-ethanylylidene-1H-p yrano[3,4-c]pyridine-10,3'-[3H]indol]-2'(1'H)-one
• Spiro[3,5,8-ethanylylidene-1H-pyrano[3,4-c]pyridine-10,3'-[3H]indol]-2'(1'H)-one, 5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methyl-, [3R-(3«alpha»,4a«beta»,5«alpha»,8«alpha»,8a«beta»,9S,10S)]-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Gelsemine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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