Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA011692
PROPERTIES
NPAID | NPA011692 |
---|---|
CLUSTER ID | 2164 |
NODE ID | 163 |
NAME | (22E)-Cholesta-4,6,8(14),22-tetraen-3-on |
FORMULA | C27H38O |
MOLECULAR WEIGHT (Da) | 378.6000 |
ACCURATE MASS (Da) | 378.2923 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Daldinia |
ORIGIN SPECIES | concentrica |
InChIKey | AJRNPFZYKICTEM-AQAVSRJYSA-N |
InChI | InChI=1S/C27H38O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,17-19,23,25H,7,11-16H2,1-5H3/b8-6+/t19-,23-,25+,26+,27-/m1/s1 |
SMILES | C[C@H](/C=C/CC(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Quang, Dang Ngoc; Hashimoto, Toshihiro; Tanaka, Masami; Baumgartner, Manuela; Stadler, Marc; Asakawa, Yoshinori Chemical Constituents of the Ascomycete Daldinia concentrica Journal of Natural Products 2002 65 (12) 1869-1874. | ||
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DOI | 10.1021/np020301h | PMID | 12502330 |