Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA006488
PROPERTIES
NPAID | NPA006488 |
---|---|
CLUSTER ID | 17 |
NODE ID | 17 |
NAME | Sulpinine B |
FORMULA | C32H41NO3 |
MOLECULAR WEIGHT (Da) | 487.6840 |
ACCURATE MASS (Da) | 487.3086 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Aspergillus |
ORIGIN SPECIES | sulphureus |
InChIKey | XPYLFGPDHCCOLE-IDNFIPLESA-N |
InChI | InChI=1S/C32H41NO3/c1-8-29(4,5)19-9-10-21-22-15-20-11-14-32(35)23-17-25(34)27(18(2)3)36-26(23)12-13-30(32,6)31(20,7)28(22)33-24(21)16-19/h8-10,16-17,20,25-27,33-35H,1-2,11-15H2,3-7H3/t20-,25+,26-,27+,30+,31+,32+/m0/s1 |
SMILES | CC(=C)[C@@H]1[C@@H](C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=C(N5)C=C(C=C6)C(C)(C)C=C)C)O)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Laakso, Jodi A.; Gloer, James B.; Wicklow, Donald T.; Dowd, Patrick F. Sulpinines A-C and Secopenitrem B: New Antiinsectan Metabolites from the Sclerotia of Aspergillus sulphureus Journal of Organic Chemistry 1992 57 (7) 2066-2071. | ||
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DOI | 10.1021/jo00033a030 | PMID | - |