Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019939
PROPERTIES
| NPAID | NPA019939 |
|---|---|
| CLUSTER ID | 178 |
| NODE ID | 166 |
| NAME | Not named |
| FORMULA | C43H75NO8 |
| MOLECULAR WEIGHT (Da) | 734.0720 |
| ACCURATE MASS (Da) | 733.5493 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Acetobacter |
| ORIGIN SPECIES | europaeus |
| InChIKey | WNPSYLUYXAXQSP-VLYGMAJHSA-N |
| InChI | InChI=1S/C43H75NO8/c1-23(20-24(2)33(47)34(48)28(46)21-52-37-32(44)35(49)36(50)43(37,51)22-45)26-13-17-39(6)27(26)14-18-41(8)30(39)10-11-31-40(7)16-12-25(3)38(4,5)29(40)15-19-42(31,41)9/h10-11,23-37,45-51H,12-22,44H2,1-9H3/t23?,24?,25-,26+,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,39-,40-,41+,42+,43?/m0/s1 |
| SMILES | C[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C=CC4[C@]3(CCC5[C@@]4(CC[C@@H]5C(C)CC(C)C(C(C(COC6C(C(C(C6(CO)O)O)O)N)O)O)O)C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Simonin, Pascale; Tindall, Brian; Rohmer, Michel Structure elucidation and biosynthesis of 31-methylhopanoids from Acetobacter europaeus. Studies on a new series of bacterial triterpenoids European Journal of Biochemistry 1994 225 (2) 765-771. | ||
|---|---|---|---|
| DOI | 10.1111/j.1432-1033.1994.00765.x | PMID | 7957191 |
