| PDB CCD ID: | ZWB |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C20 H30 Br N O4 |
| InChI: | InChI=1S/C20H30BrNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1 |
| InChIKey: | KFLGGORBXJSMNM-LWHFJPTFSA-N |
| SMILES: | C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Br; CC1(C)C[CH](Br)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12; CC1(C)C[C@H](Br)C[C@]2(C)[C@@H](C[C@H](O)[C@H]3CC(=O)NC3=O)C(=C)[C@@H](O)C[C@@H]12; CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Br)C |
| Name: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-7-bromanyl-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
Reference: