Isoline (alkaloid)

CAS Registry Number®

30000-36-3

CAS Name

Isoline (alkaloid)

Molecular Formula

C20H29NO7

Molecular Mass

395.45

Cite this Page

Isoline (alkaloid).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30000-36-3 (retrieved 2024-11-22) (CAS RN: 30000-36-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175.5-179 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H29NO7/c1-5-20(25)10-12(2)19(4,28-13(3)22)17(23)26-11-14-6-8-21-9-7-15(16(14)21)27-18(20)24/h6,12,15-16,25H,5,7-11H2,1-4H3/t12-,15-,16-,19+,20-/m1/s1

InChIKey

InChIKey=IYLGZMTXKJYONK-ACLXAEORSA-N

SMILES

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

Canonical SMILES

O=C(OC1(C(=O)OCC2=CCN3CCC(OC(=O)C(O)(CC)CC1C)C23)C)C

Other Names for this Substance

  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 6-(acetyloxy)-3-ethyl-3,4,5,6,9,11,13,14,14a,14b-decahydro-3-hydroxy-5,6-dimethyl-, (3R,5R,6S,14aR,14bR)-
  • Isoline
  • (3R,5R,6S,14aR,14bR)-6-(Acetyloxy)-3-ethyl-3,4,5,6,9,11,13,14,14a,14b-decahydro-3-hydroxy-5,6-dimethyl[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
  • Isoline (alkaloid)
  • Ruwenine

CAS INSIGHTSTM
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