Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000849884 | Gold | 1!CCMSLIB00000849887 |
COMPOUND NPA018417
PROPERTIES
| NPAID | NPA018417 |
|---|---|
| CLUSTER ID | 2300 |
| NODE ID | 1819 |
| NAME | Helvolinic acid |
| FORMULA | C31H42O7 |
| MOLECULAR WEIGHT (Da) | 526.6700 |
| ACCURATE MASS (Da) | 526.2931 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cephalosporium |
| ORIGIN SPECIES | caerulens |
| InChIKey | ZGQQEJUGWPCCHA-SIZJDIOISA-N |
| InChI | InChI=1S/C31H42O7/c1-16(2)9-8-10-19(28(36)37)24-20-11-12-23-29(5)14-13-21(33)17(3)25(29)26(34)27(35)31(23,7)30(20,6)15-22(24)38-18(4)32/h9,13-14,17,20,22-23,25-26,34H,8,10-12,15H2,1-7H3,(H,36,37)/b24-19-/t17-,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1 |
| SMILES | C[C@H]1[C@@H]2[C@@H](C(=O)[C@]3([C@H]([C@]2(C=CC1=O)C)CC[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Okuda, Shigenobu; Nakayama, Yuya; Tsuda, Kyosuke Studies on Microbial Products. I. 7-Desacetoxyhelvolic Acid and Helvolinic Acid Chemical and Pharmaceutical Bulletin 1966 14 (4) 436-441. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.14.436 | PMID | 5939322 |
