| 2D Structure | |
| CID | 9415 |
| IUPAC Name | (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione |
| InChI | InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1 |
| InChI Key | QVCMHGGNRFRMAD-XFGHUUIASA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C16H23NO6 |
| Molecular Weight | 325.36 |
| synonyms | ['monocrotaline', '315-22-0', 'Monocrotalin', 'NCI-C56462', 'CHEBI:6980', 'A 6080', 'Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate', 'DTXSID9020902', '73077K8HYV', '(13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione', 'NSC 28693', 'DTXCID50902', '20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13alpha,14alpha)-', '12-beta,13-beta-Dihydroxy-12-alpha,13-alpha,14-alpha-trimethylcrotal-1-enine', 'NSC-28693', '14,19-Dihydro-12,13-dihydroxy(13-alpha,14-alpha)-20-norcrotalanan-11,15-dione', '(3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione', '2H-(1,6)Dioxacycloundecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR,13bR)-', '2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR,13bR)-', '(3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-(1,6)dioxacycloundecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione', 'Testosterone oenanthate', 'Crotaline', '(-)-Monocrotaline', 'MFCD00084656', 'MLS002153902', '14,19-Dihydro-12,13-dihydroxy-20-norcrotolanan-11,15-dione', 'NCGC00164256-01', '(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione', '(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione', 'CCRIS 416', 'HSDB 3513', 'SR-01000838886', '(2,3,4-gh)pyrrolizine-2,6(3H)-dione, (4,5,8,10,12,13,13a,13b)-octahydro-4,5-dihydroxy-3,4,5-trimethyl-2H-(1,6)dioxacycloundecino-', 'BRN 0048732', 'UNII-73077K8HYV', 'CAS-315-22-0', 'Prestwick_338', 'Spectrum_001224', 'Prestwick0_000603', 'Prestwick1_000603', 'Prestwick2_000603', 'Prestwick3_000603', 'Spectrum2_000906', 'Spectrum3_000947', 'Spectrum4_001057', 'Spectrum5_001233', 'MONOCROTALINE [MI]', 'MONOCROTALINE [HSDB]', 'MONOCROTALINE [IARC]', 'BSPBio_000506', 'KBioGR_001354', 'KBioSS_001704', '4-27-00-06660 (Beilstein Handbook Reference)', 'DivK1c_000959', 'SCHEMBL164486', 'SPECTRUM1502252', 'SPBio_000752', 'SPBio_002725', 'BPBio1_000558', 'CHEMBL521035', 'MEGxp0_001899', 'ACon0_000305', 'ACon1_000179', 'HMS502P21', 'KBio1_000959', 'KBio2_001704', 'KBio2_004272', 'KBio2_006840', 'KBio3_002014', 'Monocrotaline, analytical standard', 'NINDS_000959', 'HMS1569J08', 'HMS1921P04', 'HMS2096J08', 'HMS2235J12', 'HY-N0750', 'MSK14173', 'Tox21_112094', 'Tox21_201509', 'Tox21_302874', 'BDBM50480309', 'CCG-39621', 's3812', 'AKOS015969712', 'AKOS032962048', 'Tox21_112094_1', 'CS-6164', 'FM64904', 'FS-5652', 'SDCCGMLS-0066675.P001', '20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)-', 'IDI1_000959', 'NCGC00179538-01', 'NCGC00179538-02', 'NCGC00179538-03', 'NCGC00256518-01', 'NCGC00259060-01', 'NCGC00262539-03', '1ST14173', 'AC-34918', 'SMR001233251', 'SY065743', 'JACS 72: 158 (1950)', 'SR-01000838886-3', 'SR-01000838886-4', 'BRD-K65508953-001-05-5', 'BRD-K65508953-001-08-9', 'Q27107379', '(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0??,??]hexadec-10-ene-3,7-dione', '(3R,4R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione', '109525-74-8', '2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, 4,5,8,10,12,13,13A,13B-OCTAHYDRO-4,5-DIHYDROXY-3,4,5-TRIMETHYL-, (3R-(3R*,4R*,5R*,13AR*,13BR*))-', 'rel-(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione'] |
From Pubchem