(+)-Gelsemine

CAS Registry Number®

509-15-9
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CAS Name

(+)-Gelsemine

Molecular Formula

C20H22N2O2

Molecular Mass

322.40

Cite this Page

(+)-Gelsemine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=509-15-9 (retrieved 2024-04-19) (CAS RN: 509-15-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

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)/t11-,13+,15+,16+,17-,19-,20-/m0/s1

InChIKey

InChIKey=NFYYATWFXNPTRM-QJICHLCESA-N

SMILES

O=C1[C@@]2([C@@]3([C@]4(C=C)[C@@]5(C[C@]2(OC[C@@]5([C@]3(N(C)C4)[H])[H])[H])[H])[H])C=6C(N1)=CC=CC6

Canonical SMILES

O=C1NC=2C=CC=CC2C13C4OCC5C6N(C)CC(C=C)(C5C4)C63

Other Names for this Substance

  • 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′S,4aR,5S,8S,8aS,9S)-
  • Gelsemine
  • (3R,3′S,4aR,5S,8S,8aS,9S)-5-Ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methylspiro[3,5,8-ethanylylidene-1H-pyrano[3,4-c]pyridine-10,3′-[3H]indol]-2′(1′H)-one
  • [3R-(3α,4aβ,5α,8α,8aβ,9S*,10S*)]-5-Ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methylspiro[3,5,8-ethanylylidene-1H-pyrano[3,4-c]pyridine-10,3′-[3H]indol]-2′(1′H)-one
  • (+)-Gelsemine

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Deleted or Replaced CAS Registry Numbers

1413-63-4, 791726-87-9

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