Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001263
PROPERTIES
| NPAID | NPA001263 |
|---|---|
| CLUSTER ID | 842 |
| NODE ID | 731 |
| NAME | Roseopurpurin I |
| FORMULA | C33H40O11 |
| MOLECULAR WEIGHT (Da) | 612.6720 |
| ACCURATE MASS (Da) | 612.2571 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | roseopurpureum (CMB-MF038) |
| InChIKey | DKMFDYJRMAEKLL-QITWZCEJSA-N |
| InChI | InChI=1S/C33H40O11/c1-16-10-22(35)18(3)25(11-16)44-31-30(41)32(4,28(39)29(40)33(31,5)42-6)20-9-7-8-17(2)43-26(38)13-19-12-21(34)15-24(37)27(19)23(36)14-20/h10-12,15,17,20,29,31,34-35,37,40H,7-9,13-14H2,1-6H3/t17-,20+,29+,31-,32+,33-/m0/s1 |
| SMILES | C[C@H]1CCC[C@H](CC(=O)C2=C(C=C(C=C2CC(=O)O1)O)O)[C@@]3(C(=O)[C@H]([C@]([C@H](C3=O)OC4=CC(=CC(=C4C)O)C)(C)OC)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shang, Zhuo; Khalil, Zeinab; Li, Li; Salim, Angela A.; Quezada, Michelle; Kalansuriya, Pabasara; Capon, Robert J. Roseopurpurins: Chemical Diversity Enhanced by Convergent Biosynthesis and Forward and Reverse Michael Additions Organic Letters 2016 18 (17) 4340-4343. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.6b02099 | PMID | 27537356 |
