Valeriotetrate C | CAS 904891-20-9 | AnyMole

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HIT214316250

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HIT214316250

HIT ID:HIT214316250
Cas No:904891-20-9
常用名:Valeriotetrate C
IUPAC:[(1S,4aR,6S,7R,7aS)-6-(acetyloxy)-4a,7-dihydroxy-4-({[(2R)-3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl]oxy}methyl)-1-[(3-methylbutanoyl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl]methyl (2R)-3-methyl-2-[(3-methylbutanoyl)oxy]butanoate
IUPAC:[(1S,4aR,6S,7R,7aS)-6-(acetyloxy)-4a,7-dihydroxy-4-({[(2R)-3-methyl-2-[(3-methylbutanoyl)oxy]butanoyl]oxy}methyl)-1-[(3-methylbutanoyl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl]methyl (2R)-3-methyl-2-[(3-methylbutanoyl)oxy]butanoate
InChI key:MEOWJLHAENRYDE-KGISJOMYSA-N

分子式:C37H58O15
分子量:742.856
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)[C@@]1(O)C[C@H](OC(C)=O)[C@]2(O)COC(=O)[C@H](OC(=O)CC(C)C)C(C)C |t:11|
SMILES:[H][C@]12[C@H](OC(=O)CC(C)C)OC=C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)[C@@]1(O)C[C@H](OC(C)=O)[C@]2(O)COC(=O)[C@H](OC(=O)CC(C)C)C(C)C |t:11|

Valeriotetrate C is a natural product from Valeriana jatamansi.

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TargetMolSC
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¥ 3,940.00
1

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