Magellanine

CAS Registry Number®

61273-75-4
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CAS Name

Magellanine

Molecular Formula

C17H25NO2

Molecular Mass

275.39

Cite this Page

Magellanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=61273-75-4 (retrieved 2024-04-26) (CAS RN: 61273-75-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160-161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H25NO2/c1-10-5-12-7-14(19)16-13-3-4-18(2)9-11(13)8-17(12,16)15(20)6-10/h6,11-14,16,19H,3-5,7-9H2,1-2H3/t11-,12+,13+,14+,16+,17-/m1/s1

InChIKey

InChIKey=ADRPSBGLUHNVOU-INSRFAMQSA-N

SMILES

O=C1[C@@]23[C@@]([C@@]4([C@](C2)(CN(C)CC4)[H])[H])([C@@H](O)C[C@@]3(CC(C)=C1)[H])[H]

Canonical SMILES

O=C1C=C(C)CC2CC(O)C3C4CCN(C)CC4CC123

Other Names for this Substance

  • 1H-Benzo[3a,4]pentaleno[2,1-c]pyridin-1-one, 4,4a,5,6,6a,6b,7,8,9,10,10a,11-dodecahydro-6-hydroxy-3,9-dimethyl-, (4aS,6S,6aR,6bS,10aS,11aS)-
  • 1H-Benzo[3a,4]pentaleno[2,1-c]pyridin-1-one, 4,4a,5,6,6a,6b,7,8,9,10,10a,11-dodecahydro-6-hydroxy-3,9-dimethyl-, [4aS-(4aα,6α,6aβ,6bα,10aα,11aR*)]-
  • (4aS,6S,6aR,6bS,10aS,11aS)-4,4a,5,6,6a,6b,7,8,9,10,10a,11-Dodecahydro-6-hydroxy-3,9-dimethyl-1H-benzo[3a,4]pentaleno[2,1-c]pyridin-1-one
  • Magellanine
  • (-)-Magellanine

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