Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008797
PROPERTIES
NPAID | NPA008797 |
---|---|
CLUSTER ID | 1070 |
NODE ID | 163 |
NAME | Inonotsutriol C |
FORMULA | C30H48O3 |
MOLECULAR WEIGHT (Da) | 456.7110 |
ACCURATE MASS (Da) | 456.3603 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Inonotus |
ORIGIN SPECIES | obliquus |
InChIKey | LCMUZLICFQYVKW-UFZMFPMGSA-N |
InChI | InChI=1S/C30H48O3/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/h10,13,18-19,22-25,31-33H,8-9,11-12,14-17H2,1-7H3/t18-,19-,22+,23+,24+,25-,28-,29-,30+/m1/s1 |
SMILES | C[C@]12CC[C@@H](C([C@@H]1CC=C3C2=CC[C@]4([C@]3(CC[C@@H]4[C@H]5CC[C@@H]([C@@H]5O)C(C)(C)O)C)C)(C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Taji, Sayaka; Yamada, Takeshi; Tanaka, Reiko Three New Lanostane Triterpenoids, Inonotsutriols A, B, and C, from Inonotus obliquus Helvetica Chimica Acta 2008 91 (8) 1513-1524. | ||
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DOI | 10.1002/hlca.200890165 | PMID | - |