Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA035516
PROPERTIES
| NPAID | NPA035516 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Ascandinine C |
| FORMULA | C31H37NO7 |
| MOLECULAR WEIGHT (Da) | 535.6370 |
| ACCURATE MASS (Da) | 535.2570 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | candidus HDN15-152 |
| InChIKey | JXESDAACXDJROS-UOZBAGEOSA-N |
| InChI | InChI=1S/C31H37NO7/c1-26(2,35)25(34)39-27(3)16-37-31-13-12-28(4)29(5)17(14-19-18-8-6-7-9-20(18)32-23(19)29)10-11-30(28,36)22(31)15-21(33)24(27)38-31/h6-9,15,17,24,32,35-36H,10-14,16H2,1-5H3/t17-,24-,27+,28+,29+,30+,31+/m0/s1 |
| SMILES | CC(C)(O)C(=O)O[C@]1(C)CO[C@@]23CC[C@@]4(C)[C@@](O)(CC[C@H]5CC6=C(NC7=CC=CC=C67)[C@@]54C)C2=CC(=O)[C@@H]1O3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhou, Guoliang; Sun, Chunxiao; Hou, Xuewen; Che, Qian; Zhang, Guojian; Gu, Qianqun; Liu, Chenguang; Zhu, Tianjiao; Li, Dehai Ascandinines A-D, Indole Diterpenoids, from the Sponge-Derived Fungus Aspergillus candidus HDN15-152. Journal of Organic Chemistry 2021 86 (3) 2431-2436. | ||
|---|---|---|---|
| DOI | 10.1021/acs.joc.0c02575 | PMID | 33472001 |
