Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014648
PROPERTIES
NPAID | NPA014648 |
---|---|
CLUSTER ID | 5200 |
NODE ID | 163 |
NAME | Spiroinonotsuoxodiol |
FORMULA | C30H50O3 |
MOLECULAR WEIGHT (Da) | 458.7270 |
ACCURATE MASS (Da) | 458.3760 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Inonotus |
ORIGIN SPECIES | obliquus |
InChIKey | CRIPBGQVLWFPPG-VUFDTFQMSA-N |
InChI | InChI=1S/C30H50O3/c1-19(2)10-9-11-20(3)21-12-14-29(8)25(33)30(17-16-27(21,29)6)24(32)18-22-26(4,5)23(31)13-15-28(22,30)7/h10,20-24,31-32H,9,11-18H2,1-8H3/t20-,21-,22+,23+,24+,27-,28+,29+,30-/m1/s1 |
SMILES | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2=O)[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C |
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. | ||
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DOI | 10.1016/j.phytochem.2010.07.005 | PMID | 20691456 |