Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004740
PROPERTIES
NPAID | NPA004740 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Poricoic acid AE |
FORMULA | C33H50O5 |
MOLECULAR WEIGHT (Da) | 526.7580 |
ACCURATE MASS (Da) | 526.3658 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Poria |
ORIGIN SPECIES | cocos |
InChIKey | RKZGUCXRSIGYMA-QSZXRLQHSA-N |
InChI | InChI=1S/C33H50O5/c1-10-38-28(35)16-17-31(7)24(21(4)5)13-14-26-25(31)15-18-32(8)29(27(34)19-33(26,32)9)23(30(36)37)12-11-22(6)20(2)3/h14-15,20,23-24,27,29,34H,4,6,10-13,16-19H2,1-3,5,7-9H3,(H,36,37)/t23-,24+,27-,29+,31+,32-,33+/m1/s1 |
SMILES | CCOC(=O)CC[C@]1([C@@H](CC=C2C1=CC[C@]3([C@]2(C[C@H]([C@@H]3[C@@H](CCC(=C)C(C)C)C(=O)O)O)C)C)C(=C)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Yang, Chun-Hua; Zhang, Shi-Fang; Liu, Wen-Ying; Zhang, Zun-Jian; Liu, Jing-Han Two New Triterpenes from the Surface Layer of Poria cocos Helvetica Chimica Acta 2009 92 (4) 660-667. | ||
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DOI | 10.1002/hlca.200800360 | PMID | - |