| Name(s) |
candletoxin a |
| Scientific name(s) |
chebi:3352; dtxsid20983447; c09068; q27106038; {3-[(acetyloxy)methyl]-4a,7b-dihydroxy-1,6,8-trimethyl-5-oxo-9a-[(phenylacetyl)oxy]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-1-yl}methyl 2-methylbutanoate |
| Formula |
C35H44O9 |
| Molecular mass |
608.7 |
| IUPAC name |
[(1R,2S,6R,10S,11R,12S,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 2-methylbutanoate |
| INCHI |
InChI=1S/C35H44O9/c1-7-20(2)31(39)43-19-32(6)29-26-14-25(18-42-23(5)36)17-33(40)27(13-21(3)30(33)38)35(26,41)22(4)16-34(29,32)44-28(37)15-24-11-9-8-10-12-24/h8-14,20,22,26-27,29,40-41H,7,15-19H2,1-6H3/t20?,22-,26+,27-,29-,32-,33-,34+,35-/m1/s1 |
| SMILE |
Not available |
| CAS ID |
64854-99-5 |
| PubChem ID |
442008 |
| DrugBank ID |
Not available |
| CHEBI ID |
Not available |
