7Z-Trifostigmanoside I | 7-Z-Trifostigmanoside I | CAS 1018898-17-3 | AnyMole

有库存

HIT214314469

sdf 文件

结构编辑

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HIT214314469

HIT ID:HIT214314469
Cas No:1018898-17-3
常用名:7Z-Trifostigmanoside I
别名:7-Z-Trifostigmanoside I
IUPAC:(4S)-4-[(1Z,3R)-3-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
IUPAC:(4S)-4-[(1Z,3R)-3-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
InChI key:ZUOHPMUWXJPXFB-SVJVMXMZSA-N

分子式:C24H38O12
分子量:518.556
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O)\C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C |c:30|
SMILES:C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O)\C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C |c:30|

7-Z-Trifostigmanoside I is a natural product from Polygala hongkongensis Hemsl.

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TargetMolSC
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-
¥ 3,330.00
1

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