Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008322
PROPERTIES
| NPAID | NPA008322 |
|---|---|
| CLUSTER ID | 1149 |
| NODE ID | 982 |
| NAME | Neoverrucosan-5β,9β-diol |
| FORMULA | C20H34O2 |
| MOLECULAR WEIGHT (Da) | 306.4900 |
| ACCURATE MASS (Da) | 306.2559 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Saprospira |
| ORIGIN SPECIES | grandis (ATCC 23116) |
| InChIKey | AETSXIGZEHSKGX-OUBCPKIQSA-N |
| InChI | InChI=1S/C20H34O2/c1-11(2)12-6-7-19(4)14(21)9-18(3)10-15(22)20(5)8-13(20)17(18)16(12)19/h11-17,21-22H,6-10H2,1-5H3/t12-,13-,14-,15+,16+,17+,18-,19+,20-/m0/s1 |
| SMILES | CC(C)[C@@H]1CC[C@]2([C@H]1[C@H]3[C@@H]4C[C@@]4([C@@H](C[C@@]3(C[C@@H]2O)C)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Spyere, Allan; Rowley, David C.; Jensen, Paul R.; Fenical, William New neoverrucosane diterpenoids produced by the marine gliding bacterium Saprospira grandis Journal of Natural Products 2003 66 (6) 818-822. | ||
|---|---|---|---|
| DOI | 10.1021/np0205351 | PMID | 12828468 |
