Neoline

CAS Registry Number®

466-26-2
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CAS Name

Neoline

Molecular Formula

C24H39NO6

Molecular Mass

437.57

Cite this Page

Neoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=466-26-2 (retrieved 2024-04-28) (CAS RN: 466-26-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    153-154 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23-,24+/m1/s1

InChIKey

InChIKey=XRARAKHBJHWUHW-SMCICNQZSA-N

SMILES

O[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(O)[C@@]6([C@]3(C[C@@]([C@@H]6O)([C@@H](OC)C5)[H])[H])[H])[H])[H])CC1)[H]

Canonical SMILES

OC1CCC2(COC)CN(CC)C3C4C(OC)C2C13C5CC6C(O)C5C4(O)CC6OC

Other Names for this Substance

  • Aconitane-1,8,14-triol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1α,6α,14α,16β)-
  • Neoline
  • Bullatine B
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-1,8,14-triol deriv.
  • (1α,6α,14α,16β)-20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,8,14-triol

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Deleted or Replaced CAS Registry Numbers

1354-85-4, 1368-48-5, 856565-15-6

CAS INSIGHTSTM
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