Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA011556
PROPERTIES
NPAID | NPA011556 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Inonotsutriol D |
FORMULA | C30H50O3 |
MOLECULAR WEIGHT (Da) | 458.7270 |
ACCURATE MASS (Da) | 458.3760 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Inonotus |
ORIGIN SPECIES | obliquus |
InChIKey | HPSNYACQJUVHEL-BLKIGZGFSA-N |
InChI | InChI=1S/C30H50O3/c1-18(2)23(31)17-24(32)19(3)20-11-15-30(8)22-9-10-25-27(4,5)26(33)13-14-28(25,6)21(22)12-16-29(20,30)7/h19-20,23-26,31-33H,1,9-17H2,2-8H3/t19-,20+,23+,24+,25-,26-,28+,29+,30-/m0/s1 |
SMILES | C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)[C@@H](C[C@H](C(=C)C)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Tanaka, Reiko; Toyoshima, Misaki; Yamada, Takeshi New lanostane-type triterpenoids, inonotsutriols D, and E, from Inonotus obliquus Phytochemistry Letters 2011 4 (3) 328-332. | ||
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DOI | 10.1016/j.phytol.2011.07.001 | PMID | - |