Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA002873
PROPERTIES
NPAID | NPA002873 |
---|---|
CLUSTER ID | 1660 |
NODE ID | 1356 |
NAME | Cucurbitacin B oleyl ester |
FORMULA | C50H78O9 |
MOLECULAR WEIGHT (Da) | 823.1650 |
ACCURATE MASS (Da) | 822.5646 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Leucopaxillus |
ORIGIN SPECIES | gentianeus |
InChIKey | OBAIMZMTBKKNFQ-ZAGVHFGVSA-N |
InChI | InChI=1S/C50H78O9/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-42(55)58-38-32-47(7)39-28-27-35-36(31-37(52)44(56)46(35,5)6)49(39,9)41(54)33-48(47,8)43(38)50(10,57)40(53)29-30-45(3,4)59-34(2)51/h18-19,27,29-30,36-39,43,52,57H,11-17,20-26,28,31-33H2,1-10H3/b19-18-,30-29+/t36-,37+,38-,39+,43?,47+,48-,49+,50?/m1/s1 |
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2(C1C(C)(C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)C[C@@H](C(=O)C4(C)C)O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Clericuzio, Marco; Mella, Mariella; Vita-Finzi, Paola; Zema, Michele; Vidari, Giovanni Cucurbitane triterpenoids from Leucopaxillus gentianeus Journal of Natural Products 2004 67 (11) 1823-1828. | ||
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DOI | 10.1021/np049883o | PMID | 15568769 |