(3Z,5R,6S,14aR,14bS)-3-Ethylidene-2,3,4,5,6,7,9,11,13,14,14a,14b-dodecahydro-6,14b-dihydroxy-6-(hydroxymethyl)-5,12-dimethyl-2,7-dioxo[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizinium
CAS Registry Number®
26782-43-4
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CAS Name
(3Z,5R,6S,14aR,14bS)-3-Ethylidene-2,3,4,5,6,7,9,11,13,14,14a,14b-dodecahydro-6,14b-dihydroxy-6-(hydroxymethyl)-5,12-dimethyl-2,7-dioxo[1,6]dioxacyclododecino[2,3,4-gh]pyrroliziniumMolecular Formula
C19H28NO7Cite this Page
(3Z,5R,6S,14aR,14bS)-3-Ethylidene-2,3,4,5,6,7,9,11,13,14,14a,14b-dodecahydro-6,14b-dihydroxy-6-(hydroxymethyl)-5,12-dimethyl-2,7-dioxo[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizinium. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=26782-43-4 (retrieved ) (CAS RN: 26782-43-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
124-125 °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/C19H28NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24-25H,6-11H2,1-3H3/q+1/b13-4-/t12-,15-,18-,19+,20?/m1/s1
InChIKey
InChIKey=CRWHRMSWJOLABX-NXWCFRFGSA-N
SMILES
O[C@]12[N+]3(C)CC[C@]1(OC(=O)/C(=C\C)/C[C@@H](C)[C@@](CO)(O)C(=O)OCC2=CC3)[H]
Canonical SMILES
O=C1OC2CC[N+]3(C)CC=C(COC(=O)C(O)(CO)C(C)CC1=CC)C23O
Other Names for this Substance
- [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizinium, 3-ethylidene-2,3,4,5,6,7,9,11,13,14,14a,14b-dodecahydro-6,14b-dihydroxy-6-(hydroxymethyl)-5,12-dimethyl-2,7-dioxo-, (3Z,5R,6S,14aR,14bS)-
- Senkirkine, hydroxy-
- Senecionanium, 8,12,18-trihydroxy-4-methyl-11,16-dioxo-
- [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine, senecionanium deriv.
- (3Z,5R,6S,14aR,14bS)-3-Ethylidene-2,3,4,5,6,7,9,11,13,14,14a,14b-dodecahydro-6,14b-dihydroxy-6-(hydroxymethyl)-5,12-dimethyl-2,7-dioxo[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizinium
Deleted or Replaced CAS Registry Numbers
26782-53-6
