Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA007859
PROPERTIES
NPAID | NPA007859 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Inonotsuoxodiol A |
FORMULA | C30H48O3 |
MOLECULAR WEIGHT (Da) | 456.7110 |
ACCURATE MASS (Da) | 456.3603 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Inonotus |
ORIGIN SPECIES | obliquus |
InChIKey | IJDKSGMUNLLABQ-VOLPLGQESA-N |
InChI | InChI=1S/C30H48O3/c1-18(2)9-11-22(31)19(3)20-13-16-29(7)21-10-12-24-27(4,5)25(33)14-15-28(24,6)26(21)23(32)17-30(20,29)8/h9,19-20,22,24-25,31,33H,10-17H2,1-8H3/t19-,20+,22+,24-,25-,28-,29-,30+/m0/s1 |
SMILES | C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)[C@@H](CC=C(C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Handa, Noriko; Yamada, Takeshi; Tanaka, Reiko An unusual lanostane-type triterpenoid, spiroinonotsuoxodiol, and other triterpenoids from Inonotus obliquus Phytochemistry 2010 71 (14-15) 1774-1779. | ||
---|---|---|---|
DOI | 10.1016/j.phytochem.2010.07.005 | PMID | 20691456 |