Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019730
PROPERTIES
| NPAID | NPA019730 |
|---|---|
| CLUSTER ID | 377 |
| NODE ID | 163 |
| NAME | 2β‐methyltetrahymanol |
| FORMULA | C31H54O |
| MOLECULAR WEIGHT (Da) | 442.7720 |
| ACCURATE MASS (Da) | 442.4175 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bradyrhizobium |
| ORIGIN SPECIES | japonicum USDA 110 |
| InChIKey | YOTLLNSLPKVZGB-QZDUFMJVSA-N |
| InChI | InChI=1S/C31H54O/c1-20-19-29(7)22(27(4,5)25(20)32)14-18-31(9)24(29)12-11-23-28(6)16-10-15-26(2,3)21(28)13-17-30(23,31)8/h20-25,32H,10-19H2,1-9H3/t20-,21-,22-,23+,24+,25-,28-,29-,30+,31+/m0/s1 |
| SMILES | C[C@H]1C[C@@]2([C@H]3CC[C@@H]4[C@]5(CCCC([C@@H]5CC[C@]4([C@@]3(CC[C@H]2C([C@H]1O)(C)C)C)C)(C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bravo, Jean-Michel; Perzl, Michael; Härtner, Thomas; Kannenberg, Elmar L.; Rohmer, Michel Novel methylated triterpenoids of the gammacerane series from the nitrogen-fixing bacterium Bradyrhizobium japonicum USDA 110 European Journal of Biochemistry 2001 268 (5) 1323-1331. | ||
|---|---|---|---|
| DOI | 10.1046/j.1432-1327.2001.01998.x | PMID | 11231284 |
