Alschomine

Alschomine
Identifiers
CAS Number	123045-72-7;
3D model (JSmol)	Interactive image;
ChemSpider	10258956;
PubChem CID	11969856;
	InChI InChI=1S/C21H24N2O5/c1-4-12-11-23(25)16-9-13(12)18(19(24)27-3)20-10-17(26-2)28-21(16,20)22-15-8-6-5-7-14(15)20/h4-8,11,13,16-18,22H,9-10H2,1-3H3/b12-4+/t13?,16?,17-,18?,20?,21?/m0/s1 Key: WHAYYXYTINYKPT-XWEYRWPWSA-N;
	SMILES C/C=C\1/C=[N+]([C@H]2C[C@@H]1C([C@@]34[C@@]2(Nc5c3cccc5)O[C@H](C4)OC)C(=O)OC)[O-];
Properties
Chemical formula	C21H24N2O5
Molar mass	384.432 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Alschomine is an indole alkaloid first identified in the leaves of Alstonia scholaris in 1989.^[1]^[2]^[3]

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Identifiers

CAS Number	123045-72-7
3D model (JSmol)	Interactive image
ChemSpider	10258956
PubChem CID	11969856
InChI InChI=1S/C21H24N2O5/c1-4-12-11-23(25)16-9-13(12)18(19(24)27-3)20-10-17(26-2)28-21(16,20)22-15-8-6-5-7-14(15)20/h4-8,11,13,16-18,22H,9-10H2,1-3H3/b12-4+/t13?,16?,17-,18?,20?,21?/m0/s1 Key: WHAYYXYTINYKPT-XWEYRWPWSA-N
SMILES C/C=C\1/C=[N+]([C@H]2C[C@@H]1C([C@@]34[C@@]2(Nc5c3cccc5)O[C@H](C4)OC)C(=O)OC)[O-]
Properties
Chemical formula	C₂₁H₂₄N₂O₅
Molar mass	384.432 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references