Hirsutine

Category	Flavivirus
CAS	7729-23-9
Description	Hirsutine is an alkaloid isolated from Uncaria rhynchophylla, showing anti-cancer activity.

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Synonyms	Hirsutine;7729-23-9;UNII-W596OF93C7;W596OF93C7;methyl (E)-2-[(2S,3R,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate;CHEMBL327134;(E)-16,17-Didehydro-17-methoxy-17,18-seco-3-beta-yohimban-16-carboxylic acid methyl ester;Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3-beta,16E)-;17,18-Seco-3-beta-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)-;hirsutine, (3beta,16E)-isomer;DTXSID801045724;HY-N2193;BDBM50396011;AKOS040760133;Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3.beta.,16E)-;17,18-Seco-3.beta.-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)-;AC-34492;DA-54004;MS-25915;CS-0019501;C16972;Q15614855;17,18-SECO-3beta-YOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-, METHYL ESTER, (E)-;76376-57-3;CORYNAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-, METHYL ESTER, (3beta,16E)-;INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BR)-;INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-alpha-(METHOXYMETHYLENE)-, METHYL ESTER, (alphaE,2S,3R,12BR)-;
IUPAC Name	methyl (E)-2-[(2S,3R,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Molecular Weight	398.5
Molecular Formula	C28H30O2
Canonical SMILES	CC1=CC(=CC=C1)C/C(=C/CC/C(=C/CC2=C(C(=O)C3=CC=CC=C3C2=O)C)/C)/C
InChI	InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1
InChIKey	NMLUOJBSAYAYEM-AZQGJTAVSA-N
Purity	98%
Appearance	Solid