Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004419
PROPERTIES
| NPAID | NPA004419 |
|---|---|
| CLUSTER ID | 2300 |
| NODE ID | 1819 |
| NAME | (4S,5S,6S,8S,9S,10R,13R,14S,16S,17Z)-6,16-diacetoxy-25-hydroxy-3,7-dioxo-29-nordammara-1,17(20)-dien-21-oic acid |
| FORMULA | C33H46O9 |
| MOLECULAR WEIGHT (Da) | 586.7220 |
| ACCURATE MASS (Da) | 586.3142 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sydowi PFW1-13 |
| InChIKey | WLRJWQXWJBEULT-GAZAAFLYSA-N |
| InChI | InChI=1S/C33H46O9/c1-17-22(36)13-15-31(6)24-12-11-21-25(20(29(38)39)10-9-14-30(4,5)40)23(41-18(2)34)16-32(21,7)33(24,8)28(37)27(26(17)31)42-19(3)35/h13,15,17,21,23-24,26-27,40H,9-12,14,16H2,1-8H3,(H,38,39)/b25-20-/t17-,21+,23+,24+,26-,27+,31-,32+,33-/m1/s1 |
| SMILES | C[C@H]1[C@@H]2[C@@H](C(=O)[C@]3([C@H]([C@]2(C=CC1=O)C)CC[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCCC(C)(C)O)\C(=O)O)OC(=O)C)C)C)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Min; Wang, Wen-Liang; Fang, Yu-Chun; Zhu, Tian-Jiao; Gu, Qian-Qun; Zhu, Wei-Ming Cytotoxic alkaloids and antibiotic nordammarane triterpenoids from the marine-derived fungus Aspergillus sydowi Journal of Natural Products 2008 71 (6) 985-989. | ||
|---|---|---|---|
| DOI | 10.1021/np700737g | PMID | 18505285 |
