Compounds
COMPOUND NPA017774
PROPERTIES
| NPAID | NPA017774 |
|---|---|
| CLUSTER ID | 2327 |
| NODE ID | 165 |
| NAME | Brassicasterol |
| FORMULA | C28H46O |
| MOLECULAR WEIGHT (Da) | 398.6750 |
| ACCURATE MASS (Da) | 398.3549 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Tuber |
| ORIGIN SPECIES | indicum |
| InChIKey | OILXMJHPFNGGTO-KDISEMKTSA-N |
| InChI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23?,24+,25-,26-,27-,28+/m0/s1 |
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Harki, E; Klaebe, A; Talou, T; Dargent, R Identification and quantification of Tuber melanosporum Vitt. sterols Steroids 1996 61 (10) 609-612. | ||
|---|---|---|---|
| DOI | 10.1016/s0039-128x(96)00121-3 | PMID | 8910974 |
