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Chemical structure of Manassantin B

GC72053

Manassantin B

Also known as (1R,2R)-1-(1,3-benzodioxol-5-yl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol

Manassantin B (compound 6) is a kind of lignan

ChemicalCAS88497-88-5MW716.81FormulaC41H48O11
CAS number
88497-88-5
Molecular weight
716.81
Formula
C41H48O11
InChIKey
GSWZMFDCPMPHDL-FZBBBUCASA-N
Catalogue number
GC72053
Brand
GLPBIO
Computed properties PubChem CID 10439828 · XLogP 6.7 · TPSA 124 Ų · H-bond donors 2
XLogP
6.7
TPSA
124 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
14
Heavy atoms
52

SMILES C[C@@H]1[C@H]([C@H](O[C@@H]1C2=CC(=C(C=C2)O[C@H](C)[C@@H](C3=CC4=C(C=C3)OCO4)O)OC)C5=CC(=C(C=C5)O[C@H](C)[C@@H](C6=CC(=C(C=C6)OC)OC)O)OC)C

Computed descriptors from PubChem (CID 10439828), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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