Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003779
PROPERTIES
| NPAID | NPA003779 |
|---|---|
| CLUSTER ID | 2048 |
| NODE ID | 1640 |
| NAME | (3R,4S,5S,17R,20R)-3,17,20-trihydroxy-4-methylpregn-8-en-7-one |
| FORMULA | C22H34O4 |
| MOLECULAR WEIGHT (Da) | 362.5100 |
| ACCURATE MASS (Da) | 362.2457 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phellinus |
| ORIGIN SPECIES | igniarius |
| InChIKey | MHAYDOHKEQXCEG-GLVQIBCTSA-N |
| InChI | InChI=1S/C22H34O4/c1-12-16-11-18(25)19-14(20(16,3)8-7-17(12)24)5-9-21(4)15(19)6-10-22(21,26)13(2)23/h12-13,15-17,23-24,26H,5-11H2,1-4H3/t12-,13+,15-,16-,17+,20+,21-,22-/m0/s1 |
| SMILES | C[C@@H]1[C@@H](CC[C@]2([C@H]1CC(=O)C3=C2CC[C@]4([C@H]3CC[C@@]4([C@@H](C)O)O)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wu, Xiuli; Lin, Sheng; Zhu, Chenggen; Yue, Zhenggang; Yu, Yang; Zhao, Feng; Liu, Bo; Dai, Jungui; Shi, Jiangong Homo- and Heptanor-sterols and tremulane sesquiterpenes from cultures of Phellinus igniarius Journal of Natural Products 2010 73 (7) 1294-1300. | ||
|---|---|---|---|
| DOI | 10.1021/np100216k | PMID | 20583752 |
