Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005980
PROPERTIES
| NPAID | NPA005980 |
|---|---|
| CLUSTER ID | 2859 |
| NODE ID | 163 |
| NAME | (22E,24R)-3-acetoxy-19(10-->6)-abeo-ergosta-5,7,9,22-tetraen-3beta-OL |
| FORMULA | C30H44O2 |
| MOLECULAR WEIGHT (Da) | 436.6800 |
| ACCURATE MASS (Da) | 436.3341 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Colletotrichum |
| ORIGIN SPECIES | sp. |
| InChIKey | CDIFLIYDTJYBDO-JZDBMQJNSA-N |
| InChI | InChI=1S/C30H44O2/c1-18(2)19(3)8-9-20(4)28-12-13-29-27-16-21(5)26-17-23(32-22(6)31)10-11-24(26)25(27)14-15-30(28,29)7/h8-9,16,18-20,23,28-29H,10-15,17H2,1-7H3/b9-8+/t19-,20+,23-,28+,29-,30+/m0/s1 |
| SMILES | CC1=C2C[C@H](CCC2=C3CC[C@]4([C@H](C3=C1)CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Wen; Draeger, Siegfried; Schulz, Barbara; Krohn, Karsten Ring B aromatic steroids from an endophytic fungus, Colletotrichum sp Natural Product Communications 2009 4 (11) 1449-1454. | ||
|---|---|---|---|
| DOI | 10.1177/1934578X0900401101 | PMID | 19967971 |
