Name: Rheediaxanthone A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214311683
Cas No:77181-97-6
常用名:Rheediaxanthone A
IUPAC:7-[({11,22-dihydroxy-7,7,19,19-tetramethyl-2,8,20-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(22),3,5,9,11,14,16(21),17-octaen-13-ylidene}-lambda3-oxy)methyl]-11,22-dihydroxy-7,19,19-trimethyl-2,8,20-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(22),3,5,9,11,14,16(21),17-octaen-13-one
IUPAC:7-[({11,22-dihydroxy-7,7,19,19-tetramethyl-2,8,20-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(22),3,5,9,11,14,16(21),17-octaen-13-ylidene}-lambda3-oxy)methyl]-11,22-dihydroxy-7,19,19-trimethyl-2,8,20-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(22),3,5,9,11,14,16(21),17-octaen-13-one
InChI key:VXJVQUBAQHQWBM-UHFFFAOYSA-N

分子式:C46H39O12
分子量:783.806
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)Oc2cc(O)c3c(oc4c(O)c5OC(C)(C)C=Cc5cc4c3=[O]CC3(C)Oc4cc(O)c5c(oc6c(O)c7OC(C)(C)C=Cc7cc6c5=O)c4C=C3)c2C=C1 |w:25.28,c:19,48,60,65|
SMILES:CC1(C)Oc2cc(O)c3c(oc4c(O)c5OC(C)(C)C=Cc5cc4c3=[O]CC3(C)Oc4cc(O)c5c(oc6c(O)c7OC(C)(C)C=Cc7cc6c5=O)c4C=C3)c2C=C1 |w:25.28,c:19,48,60,65|

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