Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013219
PROPERTIES
| NPAID | NPA013219 |
|---|---|
| CLUSTER ID | 4867 |
| NODE ID | 3506 |
| NAME | Calditol |
| FORMULA | C9H18O8 |
| MOLECULAR WEIGHT (Da) | 254.2350 |
| ACCURATE MASS (Da) | 254.1002 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sulfolobus |
| ORIGIN SPECIES | sp. |
| InChIKey | JOKFCZVUUMLXSM-LXWCMUOPSA-N |
| InChI | InChI=1S/C9H18O8/c10-1-4(12)2-17-8-6(14)5(13)7(15)9(8,16)3-11/h4-8,10-16H,1-3H2/t4-,5+,6+,7+,8?,9-/m0/s1 |
| SMILES | OC[C@H](O)COC1[C@H](O)[C@@H](O)[C@@H](O)[C@@]1(O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | De Rosa, Mario; De Rosa, Salvatore; Gambacorta, Agata; Bu'Lockt John.D Structure of calditol, a new branched-chain nonitol, and of the derived tetraether lipids in thermoacidophile archaebacteria of the Caldariella group Phytochemistry 1980 19 (2) 249-254. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(00)81968-8 | PMID | 7609602 |
SYNTHESES
| CITATION 1 | Blériot Y; Untersteller E; Fritz B; Sinaÿ P Total synthesis of calditol: structural clarification of this typical component of Archaea order Sulfolobales. Chemistry - A European Journal 2002 8 (1) 240-6. DOI: 10.1002/1521-3765(20020104)8:1<240::aid-chem240>3.0.co;2-g PMID: 11822455 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C(C(COC1C(C(C(C1(CO)O)O)O)O)O)O | De Rosa, Mario; De Rosa, Salvatore; Gambacorta, Agata; Bu'Lockt John.D Structure of calditol, a new branched-chain nonitol, and of the derived tetraether lipids in thermoacidophile archaebacteria of the Caldariella group Phytochemistry 1980 19 (2) 249-254. DOI: 10.1016/s0031-9422(00)81968-8 PMID: 7609602 | ||
| 2 | OC[C@H](O)COC1[C@H](O)[C@@H](O)[C@@H](O)[C@@]1(O)CO | Blériot Y; Untersteller E; Fritz B; Sinaÿ P Total synthesis of calditol: structural clarification of this typical component of Archaea order Sulfolobales. Chemistry - A European Journal 2002 8 (1) 240-6. DOI: 10.1002/1521-3765(20020104)8:1<240::aid-chem240>3.0.co;2-g PMID: 11822455 | ||
