Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA019244
PROPERTIES
NPAID | NPA019244 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | 15α-hydroxydehydrotumulosic acid |
FORMULA | C31H48O5 |
MOLECULAR WEIGHT (Da) | 500.7200 |
ACCURATE MASS (Da) | 500.3502 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Poria |
ORIGIN SPECIES | cocos |
InChIKey | WTFURVULOVLFRN-YZBXQDNMSA-N |
InChI | InChI=1S/C31H48O5/c1-17(2)18(3)9-10-19(27(35)36)24-25(33)26(34)31(8)21-11-12-22-28(4,5)23(32)14-15-29(22,6)20(21)13-16-30(24,31)7/h11,13,17,19,22-26,32-34H,3,9-10,12,14-16H2,1-2,4-8H3,(H,35,36)/t19?,22-,23-,24-,25-,26-,29+,30+,31+/m0/s1 |
SMILES | CC(C)C(=C)CCC([C@H]1[C@@H]([C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Akihisa, Toshihiro; Nakamura, Yuji; Tokuda, Harukuni; Uchiyama, Emiko; Suzuki, Takashi; Kimura, Yumiko; Uchikura, Kazuo; Nishino, Hoyoku Triterpene acids from Poria cocos and their anti-tumor-promoting effects Journal of Natural Products 2007 70 (6) 948-953. | ||
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DOI | 10.1021/np0780001 | PMID | 17488130 |