Name: Isochiisanoside
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214390580
Cas No:105591-35-3
常用名:Isochiisanoside
IUPAC:2-[(1R,2R,5R,8R,9R,10S,11R,13R,14R,15R,18S)-18-({[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-11-hydroxy-1,2,6,6,9-pentamethyl-15-(prop-1-en-2-yl)-7-oxapentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icosan-8-yl]acetic acid
IUPAC:2-[(1R,2R,5R,8R,9R,10S,11R,13R,14R,15R,18S)-18-({[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-11-hydroxy-1,2,6,6,9-pentamethyl-15-(prop-1-en-2-yl)-7-oxapentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icosan-8-yl]acetic acid
InChI key:DEXFQQWSJHKUIA-VELBUPAJSA-N

分子式:C48H76O20
分子量:973.116
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])([C@H](O)C[C@]4([H])[C@@]5([H])[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C)=C)[C@@]1(C)[C@@H](CC(O)=O)OC2(C)C
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])([C@H](O)C[C@]4([H])[C@@]5([H])[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C)=C)[C@@]1(C)[C@@H](CC(O)=O)OC2(C)C

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