Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000579938 | Bronze | beta-amyrin-H2O |
| CCMSLIB00000579937 | Bronze | beta-amyrin |
| CCMSLIB00012086435 | Gold | 4 |
| CCMSLIB00012086446 | Gold | 4 |
| CCMSLIB00012086449 | Gold | 4 |
| CCMSLIB00012086439 | Gold | 4 |
| CCMSLIB00012086440 | Gold | 4 |
| CCMSLIB00012086436 | Gold | 4 |
| CCMSLIB00012086434 | Gold | 4 |
| CCMSLIB00012086447 | Gold | 4 |
| CCMSLIB00012086441 | Gold | 4 |
| CCMSLIB00012086450 | Gold | 4 |
| CCMSLIB00012086448 | Gold | 4 |
| CCMSLIB00012086444 | Gold | 4 |
| CCMSLIB00012086442 | Gold | 4 |
| CCMSLIB00012086438 | Gold | 4 |
| CCMSLIB00012086443 | Gold | 4 |
| CCMSLIB00012086445 | Gold | 4 |
| CCMSLIB00012086437 | Gold | 4 |
| CCMSLIB00009926232 | Gold | 4 |
| CCMSLIB00009926243 | Gold | 4 |
| CCMSLIB00009926246 | Gold | 4 |
| CCMSLIB00009926236 | Gold | 4 |
| CCMSLIB00009926237 | Gold | 4 |
| CCMSLIB00009926233 | Gold | 4 |
| CCMSLIB00009926231 | Gold | 4 |
| CCMSLIB00009926244 | Gold | 4 |
| CCMSLIB00009926238 | Gold | 4 |
| CCMSLIB00009926247 | Gold | 4 |
| CCMSLIB00009926245 | Gold | 4 |
| CCMSLIB00009926241 | Gold | 4 |
| CCMSLIB00009926239 | Gold | 4 |
| CCMSLIB00009926235 | Gold | 4 |
| CCMSLIB00009926240 | Gold | 4 |
| CCMSLIB00009926242 | Gold | 4 |
| CCMSLIB00009926234 | Gold | 4 |
COMPOUND NPA000406
PROPERTIES
| NPAID | NPA000406 |
|---|---|
| CLUSTER ID | 319 |
| NODE ID | 163 |
| NAME | Beta-Amyrin |
| FORMULA | C30H50O |
| MOLECULAR WEIGHT (Da) | 426.7290 |
| ACCURATE MASS (Da) | 426.3862 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | JFSHUTJDVKUMTJ-SHRXJPJASA-N |
| InChI | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23?,24-,27+,28-,29+,30+/m0/s1 |
| SMILES | C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hai, T.; Schneider, B.; Schmidt, J.; Adam, G. Sterols and triterpenoids from the cyanobacterium Anabaena hallensis Phytochemistry 1996 41 (4) 1083-1084. | ||
|---|---|---|---|
| DOI | 10.1016/0031-9422(95)00778-4 | PMID | - |
