(3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4-dimethoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one | C27H32O12 | COC1=CC(C[C@@H]2[C@@H](CC3=CC=C4OCOC4=C3)COC2=O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1OC | CSC161148586, NP-022894, T125728 | Chemspace

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Home Chemical search Search Results CSCS00161148586

Structure Info

Chemspace ID: CSCS00161148586 (Synthesis)

IUPAC Name: (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4-dimethoxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one

Mol formula: C₂₇H₃₂O₁₂

Mol weight: 549 Da

Catalog Number(s): CSC161148586, NP-022894, T125728

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Properties
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Properties

LogP: 0.95

Heavy atoms count: 39

Rotatable bond count: 9

Number of rings: 5

Carbon bond saturation, Fsp3: 0.518

Polar surface area (Å): 163

Hydrogen bond acceptors count: 11

Hydrogen bond donors count: 4

: Zoom the structure; CSCS00161148586

Items Overall 1 item from 1 supplier

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Description: Wenchuanensin is a natural product that can be used as a reference standard. The CAS number of Wenchuanensin is 155961-85-6.; CAS: 155961-85-6

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