Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007676
PROPERTIES
| NPAID | NPA007676 |
|---|---|
| CLUSTER ID | 178 |
| NODE ID | 166 |
| NAME | (32R,33R,34S)-35-O-phenylacetyl bacteriohopanetetrol |
| FORMULA | C43H68O5 |
| MOLECULAR WEIGHT (Da) | 665.0120 |
| ACCURATE MASS (Da) | 664.5067 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Frankia |
| ORIGIN SPECIES | sp. |
| InChIKey | SKTGBAZAHKIYNS-VZLDPIEXSA-N |
| InChI | InChI=1S/C43H68O5/c1-28(14-15-32(44)38(47)33(45)27-48-37(46)26-29-12-9-8-10-13-29)30-18-23-40(4)31(30)19-24-42(6)35(40)16-17-36-41(5)22-11-21-39(2,3)34(41)20-25-43(36,42)7/h8-10,12-13,28,30-36,38,44-45,47H,11,14-27H2,1-7H3/t28-,30-,31+,32-,33+,34+,35-,36-,38-,40+,41+,42-,43-/m1/s1 |
| SMILES | C[C@H](CC[C@H]([C@H]([C@H](COC(=O)CC1=CC=CC=C1)O)O)O)[C@H]2CC[C@]3([C@H]2CC[C@@]4([C@@H]3CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CCCC6(C)C)C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rosa-Putra, S; Nalin, R; Domenach, A M; Rohmer, M Novel hopanoids from Frankia spp. and related soil bacteria. Squalene cyclization and significance of geological biomarkers revisited European Journal of Biochemistry 2001 268 (15) 4300-4306. | ||
|---|---|---|---|
| DOI | 10.1046/j.1432-1327.2001.02348.x | PMID | 11488925 |
