Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA005569
PROPERTIES
NPAID | NPA005569 |
---|---|
CLUSTER ID | 1099 |
NODE ID | 163 |
NAME | Inonotusane B |
FORMULA | C30H50O3 |
MOLECULAR WEIGHT (Da) | 458.7270 |
ACCURATE MASS (Da) | 458.3760 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Inonotus |
ORIGIN SPECIES | obliquus |
InChIKey | GYYKDEKKJBJCPY-HFOPRFLKSA-N |
InChI | InChI=1S/C30H50O3/c1-26(2)23-11-10-21-20(28(23,5)15-14-24(26)31)13-17-29(6)19(12-16-30(21,29)7)18-8-9-22(25(18)32)27(3,4)33/h18-19,22-25,31-33H,8-17H2,1-7H3/t18-,19-,22+,23+,24+,25+,28-,29-,30+/m1/s1 |
SMILES | CC(C)(O)[C@H]1CC[C@H]([C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)[C@@H]1O |
ORIGINAL ISOLATION REFERENCE
CITATION | Zhao, Fenqin; Mai, Qinqin; Ma, Jianghao; Xu, Mei; Wang, Xue; Cui, Tiantian; Qiu, Feng; Han, Guang Triterpenoids from Inonotus obliquus and their antitumor activities. Fitoterapia 2015 101 34-40. | ||
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DOI | 10.1016/j.fitote.2014.12.005 | PMID | 25542686 |