Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA002078
PROPERTIES
NPAID | NPA002078 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Elfvingic acid H Me ester |
FORMULA | C31H44O8 |
MOLECULAR WEIGHT (Da) | 544.6850 |
ACCURATE MASS (Da) | 544.3036 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Elfvingia |
ORIGIN SPECIES | applanata |
InChIKey | NIGRBWYNYOEGOL-NOXGGFABSA-N |
InChI | InChI=1S/C31H44O8/c1-16(2)20-14-25-31(39-25)22(28(20,5)10-9-26(35)38-8)15-23(33)29(6)21(13-24(34)30(29,31)7)17(3)11-19(32)12-18(4)27(36)37/h11,15,18-21,24-25,32,34H,1,9-10,12-14H2,2-8H3,(H,36,37)/b17-11-/t18?,19?,20-,21+,24+,25+,28-,29-,30+,31-/m0/s1 |
SMILES | CC(CC(/C=C(/C)\[C@H]1C[C@H]([C@@]2([C@@]1(C(=O)C=C3[C@]24[C@H](O4)C[C@H]([C@]3(C)CCC(=O)OC)C(=C)C)C)C)O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Yoshikawa, Kazuko; Nishimura, Naoko; Bando, Shinya; Arihara, Shigenobu; Matsumura, Eiko; Katayama, Satoshi New Lanostanoids, Elfvingic Acids A-H, from the Fruit Body of Elfvingia applanata Journal of Natural Products 2002 65 (4) 548-552. | ||
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DOI | 10.1021/np0103160 | PMID | 11975498 |