Name: (3S,5R,6R,7E,9R)-3,5,6,9-Tetrahydroxymegastigman-7-ene
Rating: 5 (10 reviews)

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HIT ID:HIT212665684
Cas No:680617-50-9
常用名:(3S,5R,6R,7E,9R)-3,5,6,9-Tetrahydroxymegastigman-7-ene
常用名:(3S,5R,6R,7E,9R)-3,5,6,9-Tetrahydroxymegastigman-7-ene
别名:7-巨豆烯-3,5,6,9-四醇
IUPAC:(1R,2R,4S)-1-[(1E,3R)-3-hydroxybut-1-en-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol
IUPAC:(1R,2R,4S)-1-[(1E,3R)-3-hydroxybut-1-en-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol
InChI key:CTCKPFXFWVNGLG-HCSJXBKUSA-N

分子式:C13H24O4
分子量:244.331
氢键供体数 (HBD):4
氢键受体数 (HBA):4
LogP:-0.052714933
SMILES:C[C@@H](O)\C=C\[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O
SMILES:C[C@@H](O)\C=C\[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O

(3S,5R,6R,7E,9R)-3,5,6,9-Tetrahydroxymegastigman-7-ene, a natural product, is identified by the molecular formula C13H22O4 and has a molar mass of 242.31 grams per mole. Originating from specific plant species, this compound features a megastigmane skeleton with hydroxyl groups at positions 3, 5, 6, and 9.

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