(-)-Neferine

CAS Registry Number®

2292-16-2
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CAS Name

(-)-Neferine

Molecular Formula

C38H44N2O6

Molecular Mass

624.77

Cite this Page

(-)-Neferine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2292-16-2 (retrieved 2024-05-19) (CAS RN: 2292-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    59-61 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32+/m1/s1

InChIKey

InChIKey=MIBATSHDJRIUJK-ZWXJPIIXSA-N

SMILES

C([C@@H]1C=2C(=CC(OC)=C(OC3=CC(C[C@H]4C=5C(=CC(OC)=C(OC)C5)CCN4C)=CC=C3O)C2)CCN1C)C6=CC=C(OC)C=C6

Canonical SMILES

OC1=CC=C(C=C1OC=2C=C3C(=CC2OC)CCN(C)C3CC4=CC=C(OC)C=C4)CC5C6=CC(OC)=C(OC)C=C6CCN5C

Other Names for this Substance

  • Phenol, 4-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]-
  • Neferine
  • 4-[[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]phenol
  • Neferin
  • 4′′-O-Methylliensinine

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