Name: 16-Anhydrodeacetylnerigoside
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847203
Cas No:69549-58-2
常用名:16-Anhydrodeacetylnerigoside
IUPAC:4-[(3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC:4-[(3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
InChI key:GYHJUCGZRYCVFH-AHUCGMEWSA-N

分子式:C30H44O7
分子量:516.675
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1
SMILES:[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1

16-Anhydrodeacetylnerigoside (compound 4), a steroid, is present in Nerium indicum [1].

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