Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA035517
PROPERTIES
| NPAID | NPA035517 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Ascandinine D |
| FORMULA | C27H28ClNO6 |
| MOLECULAR WEIGHT (Da) | 497.9750 |
| ACCURATE MASS (Da) | 497.1605 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | candidus HDN15-152 |
| InChIKey | URGKUYFWKMZEPP-VBCYSGKASA-N |
| InChI | InChI=1S/C27H28ClNO6/c1-23(32)12-34-27-9-8-24(2)25(3)15(6-7-26(24,33)18(27)11-17(30)22(23)35-27)20(31)19-14-5-4-13(28)10-16(14)29-21(19)25/h4-5,10-11,15,22,29,32-33H,6-9,12H2,1-3H3/t15-,22-,23+,24+,25+,26+,27+/m0/s1 |
| SMILES | C[C@]12CC[C@@]34OC[C@@](C)(O)[C@@H](O3)C(=O)C=C4[C@]1(O)CC[C@H]1C(=O)C3=C(NC4=C3C=CC(Cl)=C4)[C@@]12C |
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 |
