Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015658
PROPERTIES
| NPAID | NPA015658 |
|---|---|
| CLUSTER ID | 69 |
| NODE ID | 64 |
| NAME | 22E, 24R‐ergosta‐7,22‐diene‐3β,5α‐diol‐6β‐inoleate |
| FORMULA | C46H76O4 |
| MOLECULAR WEIGHT (Da) | 693.1100 |
| ACCURATE MASS (Da) | 692.5744 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Catathelasma |
| ORIGIN SPECIES | imperiale |
| InChIKey | IASUPFYZOZPFLS-UPZXWOEYSA-N |
| InChI | InChI=1S/C46H76O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43(48)50-42-32-38-40-27-26-39(36(5)25-24-35(4)34(2)3)44(40,6)30-29-41(38)45(7)31-28-37(47)33-46(42,45)49/h12-13,15-16,24-25,32,34-37,39-42,47,49H,8-11,14,17-23,26-31,33H2,1-7H3/b13-12-,16-15-,25-24+/t35-,36+,37-,39+,40-,41-,42+,44+,45+,46-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1C=C2[C@@H]3CC[C@@H]([C@]3(CC[C@@H]2[C@@]4([C@@]1(C[C@H](CC4)O)O)C)C)[C@H](C)/C=C/[C@H](C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang, Sheng-Ping; Xu, Jun; Yue, Jian-Min; 2010, ; imperiale', 'Sterols from the fungus Catathelasma; Chemistry</i>, <i>Chinese Journal of; 21, vol.; 10, no.; 1390-1394, pp. Sterols from the fungus Catathelasma imperiale Chinese Journal of Chemistry 2003 21 (10) 1390-1394. | ||
|---|---|---|---|
| DOI | 10.1002/cjoc.20030211031 | PMID | - |
