Jacobine

CAS Registry Number®

6870-67-3
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CAS Name

Jacobine

Molecular Formula

C18H25NO6

Molecular Mass

351.39

Cite this Page

Jacobine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6870-67-3 (retrieved 2024-05-17) (CAS RN: 6870-67-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1

InChIKey

InChIKey=IAPHXJRHXBQDQJ-WKMWQDDRSA-N

SMILES

C[C@H]1[C@]2(O1)C(=O)O[C@]3([C@@]4(N(CC3)CC=C4COC(=O)[C@](C)(O)[C@H](C)C2)[H])[H]

Canonical SMILES

O=C1OCC2=CCN3CCC(OC(=O)C4(OC4C)CC(C)C1(O)C)C23

Other Names for this Substance

  • Spiro[[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-3(2H),2′-oxirane]-2,7(4H)-dione, 5,6,9,11,13,14,14a,14b-octahydro-6-hydroxy-3′,5,6-trimethyl-, (2′S,3′S,5R,6R,14aR,14bR)-
  • Jacobine
  • Senecionan-11,16-dione, 15,20-epoxy-15,20-dihydro-12-hydroxy-, (15α,20S)-
  • (2′S,3′S,5R,6R,14aR,14bR)-5,6,9,11,13,14,14a,14b-Octahydro-6-hydroxy-3′,5,6-trimethylspiro[[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-3(2H),2′-oxirane]-2,7(4H)-dione
  • Spiro[[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-3(2H),2′-oxirane]-2,7(4H)-dione, 5,6,9,11,13,14,14a,14b-octahydro-6-hydroxy-3′,5,6-trimethyl-, [3S-[3R*(R*),5S*,6S*,14aS*,14bS*]]-

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Deleted or Replaced CAS Registry Numbers

471-14-7

CAS INSIGHTSTM
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