Columbin

(1S,2S,3S,5S,8R,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione

Also Known As: Columbin|Tinosporin|COLUMBIN [MI]|KST-1A6866|s9167|SID:405281137|(1s,2s,3s,5s,8r,11r,12s)-5-(3-furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione|(1S,2S,3S,5S,8R,11R,12S)-5-(Furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione|4-Hydroxy-15,16-epoxycleroda-2,13(16),14-trieno-17,12-18,1-biscarbolactone|1,4-Etheno-3H,7H-benzo(1,2-c:3,4-c')dipyran-3,7-dione, 9-(3-furanyl)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4-hydroxy-4a,10a-dimethyl-, (1R-(1alpha,4beta,4aalpha,6abeta,9beta,10abeta,10balpha))-|((1S,2R,4S,4aR,5R,8aR)-1-((3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro(2,3-b)furan-5-yl)-4-acetoxy-1,2-dimethyl-spiro(decalin-5,2'-oxirane)-4a-yl)methyl acetate|(1R,2S,3S,5S,8R,11R,12R)-5-(3-Furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione|(1R,4R,4AR,6AR,9S,10AS,10BS)-9-(3-FURANYL)-1,4,4A,5,6,6A,9,10,10A,10B-DECAHYDRO-4-HYDROXY-4A,10A-DIMETHYL-1,4-ETHENO-3H,7H-BENZO(1,2-C:3,4-C')DIPYRAN-3,7-DIONE|(1R,4R,4aR,6aR,9S,10aS,10bS)-9-(3-Furanyl)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4-hydroxy-4a,10a-dimethyl-1,4-etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione|1,4-Etheno-3H,7H-benzo[1,2-c:3,4-c inverted exclamation mark(R)]dipyran-3,7-dione, 9-(3-furanyl)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4-hydroxy-4a,10a-dimethyl-, [1R-(1|A,4|A,4a|A,6a|A,9|A,10a|A,10b)]-|5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo(10.2.2.02,11.03,8)hexadec-15-ene-7,13-dione|5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione

Molecular Formula	C20H22O6
Molecular Weight	358.14163 g/mol
LogP	2.2
Topological Polar Surface Area	86.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	358.14163
Monoisotopic Mass	358.14163
Heavy Atoms	26
Complexity	702.0

Chemical Identifiers

CAS Number	471-54-5
SMILES	C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@]3([C@@H]1[C@@H]4C=C[C@]2(C(=O)O4)O)C)C5=COC=C5
InChIKey	AALLCALQGXXWNA-DURQJQQASA-N