Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA013871
PROPERTIES
NPAID | NPA013871 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Tsugaric acid B |
FORMULA | C33H52O5 |
MOLECULAR WEIGHT (Da) | 528.7740 |
ACCURATE MASS (Da) | 528.3815 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Ganoderma |
ORIGIN SPECIES | tsugae |
InChIKey | ZCMJUAGNOJTZBJ-MJWPTZKTSA-N |
InChI | InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,22-,25-,26+,27-,28+,31-,32-,33+/m1/s1 |
SMILES | CC(CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O)C(=C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Lin, Chun-Nan; Fann, Yih-Fen; Chung, Mei-Ing Steroids of formosan Ganoderma tsugae Phytochemistry 1997 46 (6) 1143-1146. | ||
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DOI | 10.1016/s0031-9422(97)00387-7 | PMID | - |