Monocrotaline

CAS Registry Number®

315-22-0

CAS Name

Monocrotaline

Molecular Formula

C16H23NO6

Molecular Mass

325.36

Cite this Page

Monocrotaline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=315-22-0 (retrieved 2024-11-22) (CAS RN: 315-22-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197-198 °C (decomp)

  • Density (2)

    1.35 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1

InChIKey

InChIKey=QVCMHGGNRFRMAD-XFGHUUIASA-N

SMILES

O=C1O[C@]2([C@@]3(N(CC2)CC=C3COC(=O)[C@](C)(O)[C@](C)(O)[C@H]1C)[H])[H]

Canonical SMILES

O=C1OC2CCN3CC=C(COC(=O)C(O)(C)C(O)(C)C1C)C32

Other Names for this Substance

  • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR,13bR)-
  • 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13α,14α)-
  • Monocrotaline
  • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine, 20-norcrotalanan-11,15-dione deriv.
  • (3R,4R,5R,13aR,13bR)-4,5,8,10,12,13,13a,13b-Octahydro-4,5-dihydroxy-3,4,5-trimethyl-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione

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Deleted or Replaced CAS Registry Numbers

30331-79-4, 48197-27-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration