Jaconine

CAS Registry Number®

480-75-1
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CAS Name

Jaconine

Molecular Formula

C18H26ClNO6

Molecular Mass

387.86

Cite this Page

Jaconine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=480-75-1 (retrieved 2024-07-05) (CAS RN: 480-75-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    180 °C

  • Melting Point (1)

    146 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3

InChIKey

InChIKey=CKPJPJSVQMEGBC-UHFFFAOYSA-N

SMILES

O=C1OC2C3N(CC2)CC=C3COC(=O)C(C)(O)C(C)CC1(C(C)Cl)O

Canonical SMILES

O=C1OCC2=CCN3CCC(OC(=O)C(O)(CC(C)C1(O)C)C(Cl)C)C23

Other Names for this Substance

  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-[(1R)-1-chloroethyl]-3,4,5,6,9,11,13,14,14a,14b-decahydro-3,6-dihydroxy-5,6-dimethyl-, (3R,5R,6S,14aR,14bR)-
  • Jaconine
  • Senecionan-11,16-dione, 20-chloro-15,20-dihydro-12,15-dihydroxy-, (15α,20R)-
  • (3R,5R,6S,14aR,14bR)-3-[(1R)-1-Chloroethyl]-3,4,5,6,9,11,13,14,14a,14b-decahydro-3,6-dihydroxy-5,6-dimethyl[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-(1-chloroethyl)-3,4,5,6,9,11,13,14,14a,14b-decahydro-3,6-dihydroxy-5,6-dimethyl-, [3R-[3R*(R*),5R*,6S*,14aR*,14bR*]]-