Arisanlactone D | CAS 1234186-01-6 | AnyMole

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HIT214315463

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HIT214315463

HIT ID:HIT214315463
Cas No:1234186-01-6
常用名:Arisanlactone D
IUPAC:(1S,2S)-2-[(1R,2R,3S,7R,10S,13R,15S,16S,17R,18R)-2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.0^{1,13}.0^{3,7}.0^{3,10}.0^{16,18}]henicosan-17-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]propyl acetate
IUPAC:(1S,2S)-2-[(1R,2R,3S,7R,10S,13R,15S,16S,17R,18R)-2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.0^{1,13}.0^{3,7}.0^{3,10}.0^{16,18}]henicosan-17-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]propyl acetate
InChI key:XVOAOTAZULSEBL-ZBEPTVKHSA-N

分子式:C31H42O11
分子量:590.666
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1([C@H](C)[C@H](OC(C)=O)[C@]2([H])C[C@@H](C)C(=O)O2)[C@@]2([H])[C@]1(C)CC[C@@]13O[C@]2(O)C(=O)[C@]1([H])CC[C@@]1([H])C(C)(C)O[C@]2([H])CC(=O)O[C@]12[C@@H]3O
SMILES:[H][C@@]1([C@H](C)[C@H](OC(C)=O)[C@]2([H])C[C@@H](C)C(=O)O2)[C@@]2([H])[C@]1(C)CC[C@@]13O[C@]2(O)C(=O)[C@]1([H])CC[C@@]1([H])C(C)(C)O[C@]2([H])CC(=O)O[C@]12[C@@H]3O

Arisanlactone D is a natural product from Schisandra chinensis (Turcz.) Baill.

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