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

Gelsemine

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)]-
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Physical Properties

Property Value Unit Source
logPoct/wat 2.677 Crippen Calculated Property
McVol 237.700 ml/mol McGowan Calculated Property

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Similar Compounds

Axillarine. Mucronatinine. Pumiline A. Ethylmorphine, trimethylsilyl ether. Hydromorphone, trimethylsilyl ether. Nicocodine. Deserpidine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. DIHYDROERGOTAMINE. BUPRENORPHINE. ERGOCRYPTINE. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Neopine. 3-propionyl-morphine.

Find more compounds similar to Gelsemine.

Sources

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