Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA021975
PROPERTIES
NPAID | NPA021975 |
---|---|
CLUSTER ID | 6796 |
NODE ID | 4701 |
NAME | Hypocriol D |
FORMULA | C33H48O7 |
MOLECULAR WEIGHT (Da) | 556.7400 |
ACCURATE MASS (Da) | 556.3400 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Hypocrea |
ORIGIN SPECIES | sp. |
InChIKey | PBKZIJVPGCDCOR-CTTWNACISA-N |
InChI | InChI=1S/C33H48O7/c1-16-11-12-19-23-21(16)27(37-10)40-28(31(23,8)14-29(19,4)5)39-26-24(35)22-17(2)13-20(38-18(3)34)25-30(6,7)15-32(26,9)33(22,25)36/h11-12,17,20,22,24-28,35-36H,13-15H2,1-10H3/t17-,20+,22-,24-,25+,26+,27+,28-,31+,32-,33-/m1/s1 |
SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1[C@H]([C@@H]([C@]3(CC2(C)C)C)O[C@H]4[C@]5(CC(C6=C5C(=C(C=C6)C)[C@H](O4)OC)(C)C)C)O)O)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Ren, Fengxia; Zhu, Shuaiming; Wang, Bo; Li, Li; Liu, Xingzhong; Su, Ruibin; Che, Yongsheng Hypocriols A-F, Heterodimeric Botryane Ethers from Hypocrea sp., an Insect-Associated Fungus Journal of Natural Products 2016 79 (7) 1848-1856. | ||
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DOI | 10.1021/acs.jnatprod.6b00394 | PMID | 27328173 |