Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008732
PROPERTIES
| NPAID | NPA008732 |
|---|---|
| CLUSTER ID | 3694 |
| NODE ID | 2778 |
| NAME | 5,16-pregnadien-3beta-ol-20-one acetate |
| FORMULA | C23H32O3 |
| MOLECULAR WEIGHT (Da) | 356.5060 |
| ACCURATE MASS (Da) | 356.2351 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sphaceloma |
| ORIGIN SPECIES | sp. LN-15 |
| InChIKey | MZWRIOUCMXPLKV-RFOVXIPZSA-N |
| InChI | InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1 |
| SMILES | CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, An-Ling; He, Li-Ying; Gao, Jin-Ming; Xu, Xu; Li, Shi-Qing; Bai, Ming-Sheng; Qin, Jian-Chun Metabolites from an Endophytic Fungus Sphaceloma sp. LN-15 Isolated from the Leaves of Melia azedarach Lipids 2009 44 (8) 745-751. | ||
|---|---|---|---|
| DOI | 10.1007/s11745-009-3317-3 | PMID | 19543932 |
