Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008111
PROPERTIES
NPAID | NPA008111 |
---|---|
CLUSTER ID | 178 |
NODE ID | 166 |
NAME | (22S)-moretan-29-ol acetate |
FORMULA | C32H54O2 |
MOLECULAR WEIGHT (Da) | 470.7820 |
ACCURATE MASS (Da) | 470.4124 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Frankia |
ORIGIN SPECIES | sp. |
InChIKey | QSIMBUYUBYRBSU-SQOYUYPGSA-N |
InChI | InChI=1S/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21-,23+,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1 |
SMILES | C[C@H](COC(=O)C)[C@@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(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. | ||
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DOI | 10.1046/j.1432-1327.2001.02348.x | PMID | 11488925 |