Name: Nujiangefolin A
Rating: 5 (10 reviews)

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HIT ID:HIT214311902
Cas No:1393644-51-3
常用名:Nujiangefolin A
IUPAC:(1R,13R,15S)-6,7-dihydroxy-16,16-dimethyl-13-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-1,15-bis(3-methylbut-2-en-1-yl)-3-oxatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2(11),4,6,8-tetraene-10,12,17-trione
IUPAC:(1R,13R,15S)-6,7-dihydroxy-16,16-dimethyl-13-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-1,15-bis(3-methylbut-2-en-1-yl)-3-oxatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2(11),4,6,8-tetraene-10,12,17-trione
InChI key:GNNBHBRZPVSHKB-IVQHQZAFSA-N

分子式:C38H48O6
分子量:600.796
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]-[#6](-[#6]-[#6]-[#6](-[#6])=[#6])-[#6](-[#6])=[#6])[#6](=O)-c3c(oc4cc(-[#8])c(-[#8])cc4c3=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)C1([#6])[#6] |TLB:4:5:39:18.21.20,22:21:41.5.6:39,31:20:41.5.6:39|
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]-[#6](-[#6]-[#6]-[#6](-[#6])=[#6])-[#6](-[#6])=[#6])[#6](=O)-c3c(oc4cc(-[#8])c(-[#8])cc4c3=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)C1([#6])[#6] |TLB:4:5:39:18.21.20,22:21:41.5.6:39,31:20:41.5.6:39|

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