Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026846
PROPERTIES
| NPAID | NPA026846 |
|---|---|
| CLUSTER ID | 240 |
| NODE ID | 220 |
| NAME | Alterbrassinoid B |
| FORMULA | C42H62O9 |
| MOLECULAR WEIGHT (Da) | 710.9490 |
| ACCURATE MASS (Da) | 710.4394 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | brassicicola |
| InChIKey | CTNMEILPFLBLSC-ZEBCYHNHSA-N |
| InChI | InChI=1S/C42H62O9/c1-21(2)35-27-14-33(43)23(5)26-11-13-41(48,20-51-9)32(26)18-42(49,38(35)46)28(27)15-30-37(45)36(22(3)4)29-16-34(44)24(6)25-10-12-40(47,19-50-8)31(25)17-39(29,30)7/h17-18,21-26,28,30,33-34,43-44,47-49H,10-16,19-20H2,1-9H3/b31-17+,32-18+/t23-,24-,25+,26+,28-,30+,33+,34+,39-,40+,41+,42+/m1/s1 |
| SMILES | COC[C@@]1(O)CC[C@@H]2/C1=C\[C@@]1(O)C(=O)C(C(C)C)=C(C[C@H](O)[C@@H]2C)[C@H]1C[C@H]1C(=O)C(C(C)C)=C2C[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)/C3=C/[C@]21C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Fengli; Lin, Shuang; Zhang, Sitian; Hao, Xincai; Li, Xiao-Nian; Yang, Beiye; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui Alterbrassinoids A-D: Fusicoccane-Derived Diterpenoid Dimers Featuring Different Carbon Skeletons from Alternaria brassicicola Organic Letters 2019 21 (20) 8353-8357. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b03133 | PMID | 31573213 |
