| 2D Structure | |
| CID | 442291 |
| IUPAC Name | (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione |
| InChI | InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1 |
| InChI Key | RYEFFICCPKWYML-QCGISDTRSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C15H18O7 |
| Molecular Weight | 310.30 |
| synonyms | ['picrotin', '21416-53-5', 'CHEBI:8205', 'U06Z6QD7N2', 'DTXSID80274161', 'NSC-129536', '(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione', '(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo(6.4.1.19,12.03,5.05,13)tetradecane-6,11-dione', 'DTXCID5025605', '(1S,3S,5R,9S,12R,13S,14R)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo(6.4.1.19,12.03,5.05,13)tetradecane-6,11-dione', 'DSSTox_CID_25605', 'DSSTox_RID_80998', 'DSSTox_GSID_45605', 'CHEMBL478523', 'CAS-124-87-8', 'ST057242', '3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR-(1a alpha,2a beta,3beta,6beta,6a beta,8aS*,8b beta,9S*))-', '(5S,8S,12S,14S,1R,3R,9R,13R)-1-hydroxy-14-(1-hydroxy-isopropyl)-13-methyl-4,7, 10-trioxapentacyclo[6.4.1.1<9,12>.0<3,5>.0<5,13>]tetradecane-6,11-dione', 'Pikrotin', 'NCGC00017246-02', 'Picrotin (VAN)', '3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-', 'MFCD00868514', 'Spectrum_000413', 'PICROTIN [MI]', 'Spectrum2_000279', 'Spectrum3_000073', 'Spectrum4_001781', 'Spectrum5_000421', 'UNII-U06Z6QD7N2', 'BSPBio_001885', 'KBioGR_002323', 'KBioSS_000893', 'SPECTRUM100346', 'DivK1c_000756', 'SPBio_000158', 'GTPL4286', 'orb1706791', 'SCHEMBL1688919', 'HMS502F18', 'KBio1_000756', 'KBio2_000893', 'KBio2_003461', 'KBio2_006029', 'KBio3_001105', 'NINDS_000756', 'HMS1922N10', 'Tox21_110806', 'Tox21_111261', 'BDBM50269961', 'CCG-39837', 'AKOS024282616', 'FP66559', 'NSC 129536', 'Picrotin (from Anamirta cocculus seed)', 'SDCCGMLS-0066351.P001', 'BRN 5302552', 'IDI1_000756', 'SMP1_000239', 'NCGC00017246-10', 'NCGC00142523-02', 'NCGC00142523-04', 'MS-24507', 'AI3-41570', 'NS00096985', 'C09528', 'G12776', 'Q27088386', '(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1(9,12).0(3,5).0(5,13)]tetradecane-6,11-dione'] |
From Pubchem