| 2D Structure | |
| CID | 442985 |
| IUPAC Name | (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol |
| InChI | InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChI Key | KWVISVAMQJWJSZ-VKROHFNGSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C27H43NO2 |
| Molecular Weight | 413.6 |
| synonyms | ['solasodine', '126-17-0', 'Purapuridine', 'Solanidine-S', 'Solancarpidine', 'Solasodin', 'Solasod-5-en-3beta-ol', 'L40Y453Y96', 'Salasodine', 'Salasdine', 'CHEBI:9190', '(3beta,22alpha,25R)-spirosol-5-en-3-ol', 'DTXSID101030558', 'NSC-178260', 'Spirosol-5-en-3-ol, (3beta,22alpha,25R)-', 'delta5-20Betaf,22alphaf,25alphaf,27-azaspirosten-3beta-ol', 'NSC-179187', "(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol", "(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-piperidine)-16-ol", 'RefChem:184222', 'DTXCID901515643', '204-774-2', "5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-piperidine)-16-ol", '(22R,25R)-spirosol-5-en-3beta-ol', 'MFCD00037844', "(4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9-Tetramethyl-1,3,4,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-ol", 'NSC178260', 'Solasod-5-en-3-beta-ol', 'Solancarpine', 'Spirosol-5-en-3-ol, (3.beta.,22.alpha.,25R)-', 'Solanearpidine', '(-)-Solasodine', 'NSC 179187', 'Solasod-5-en-3.beta.-ol', 'SR-01000814832', 'Solancarpidine;', 'Purapuridine;', 'Purapuridine;Solancarpidine;Solasodin', 'Solanidine S;', 'NSC 178260', 'SOLASADINE', 'SOLASODINE [MI]', 'Prestwick3_000663', 'SOLASODINE [WHO-DD]', 'BSPBio_000725', 'MLS001164064', 'SCHEMBL456185', 'BPBio1_000799', 'CHEMBL518252', 'orb1303271', 'Solasodine - Bio-X trade mark', 'UNII-L40Y453Y96', 'HSDB 3538', 'MSK3003', 'KWVISVAMQJWJSZ-VKROHFNGSA-N', 'HMS2097E07', 'HMS2862C06', 'HY-N0068', 'EINECS 204-774-2', 'AKOS015969707', 'CS-1651', 'EBC-618395', 'OS73940', 'BRN 0094578', 'NCGC00179461-01', '(25R)-22alpha-spirosol-5-en-3beta-ol', 'BS300158', 'SMR000539436', 'SY231499', 'AB00513879', 'NS00041398', '4-27-00-02000 (Beilstein Handbook Reference)', 'Q740439', 'SR-01000814832-3', 'SR-01000814832-4', "(2R,5'R)-5'-tetramethylspiro[[?]-2,2'-piperidine]ol", '(3.BETA.,22.ALPHA.,25R)-SPIROSOL-5-EN-3-OL', "(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-18-en-16-ol", "(2'R,4S,5'R,6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,4,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-ol", "(2S,2'R,4aR,4bS,5'R,6aS,6bR,7S,9aS,10aS,10bS)-4a,5',6a,7-tetramethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidin]-2-ol"] |
From Pubchem