Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011832
PROPERTIES
| NPAID | NPA011832 |
|---|---|
| CLUSTER ID | 990 |
| NODE ID | 853 |
| NAME | Sterhirsutin I |
| FORMULA | C45H54O9 |
| MOLECULAR WEIGHT (Da) | 738.9180 |
| ACCURATE MASS (Da) | 738.3768 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stereum |
| ORIGIN SPECIES | hirsutum |
| InChIKey | XROYAYHTAHEXNB-YCTUVTCDSA-N |
| InChI | InChI=1S/C45H54O9/c1-20-32(46)13-26-10-23-15-41(5,18-29(23)43(20,26)7)38(51)53-36-28-12-25-16-42(6,19-31(25)45(28,9)22(3)34(36)48)39(52)54-35-27-11-24-14-40(4,37(49)50)17-30(24)44(27,8)21(2)33(35)47/h20,23-26,29-31H,2-3,10-19H2,1,4-9H3,(H,49,50)/t20-,23-,24-,25-,26-,29+,30+,31+,40-,41-,42-,43+,44+,45+/m0/s1 |
| SMILES | C=C1C(=O)C(OC(=O)[C@@]2(C)C[C@@H]3CC4=C(OC(=O)[C@@]5(C)C[C@@H]6C[C@H]7CC(=O)[C@H](C)[C@@]7(C)[C@@H]6C5)C(=O)C(=C)[C@@]4(C)[C@@H]3C2)=C2C[C@H]3C[C@](C)(C(=O)O)C[C@H]3[C@]12C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Qi, Qiu-Yue; Ren, Jin-Wei; Sun, Li-Wei; He, Lu-Wei; Bao, Li; Yue, Wei; Sun, Qin-Miao; Yao, Yi-Jian; Yin, Wen-Bing; Liu, Hong-Wei Stucturally Diverse Sesquiterpenes Produced by a Chinese Tibet Fungus Stereum hirsutum and Their Cytotoxic and Immunosuppressant Activities. Organic Letters 2015 17 (12) 3098-3101. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.5b01356 | PMID | 26068271 |
