Name: (25R)-Spirost-4-ene-3,12-dione
Rating: 5 (10 reviews)

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HIT ID:HIT213840228
Cas No:6875-60-1
常用名:(25R)-Spirost-4-ene-3,12-dione
别名:蒺藜苷元
IUPAC:(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-17'-ene-10',16'-dione
IUPAC:(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-17'-ene-10',16'-dione
InChI key:ZVWYBBDTSJOAHD-HGMFYQPQSA-N

分子式:C27H38O4
分子量:426.597
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)CC[C@]5(C)[C@@]4([H])CC(=O)[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 |t:9|
SMILES:[H][C@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)CC[C@]5(C)[C@@]4([H])CC(=O)[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 |t:9|

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