Jacoline

CAS Registry Number®

480-76-2
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CAS Name

Jacoline

Molecular Formula

C18H27NO7

Molecular Mass

369.41

Cite this Page

Jacoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=480-76-2 (retrieved 2024-05-15) (CAS RN: 480-76-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    221 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3

InChIKey

InChIKey=FMWJEBGSMAOQNN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

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