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Chemical structure of Nortracheloside

GC76361

Nortracheloside

Also known as (3S,4S)-3-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one

Nortracheloside is a lignan isolated from Trachelospermum jasminoides (Lindl

ChemicalCAS33464-78-7MW536.53FormulaC26H32O12
CAS number
33464-78-7
Molecular weight
536.53
Formula
C26H32O12
Solubility
DMSO： 125 mg/mL (232·98 mM; Need ultrasonic)
InChIKey
VXYKGOAXVHSLDD-PTHUBMCESA-N
Catalogue number
GC76361
Brand
GLPBIO
Computed properties PubChem CID 45482323 · XLogP 0.7 · TPSA 185 Ų · H-bond donors 6
XLogP
0.7
TPSA
185 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
9
Heavy atoms
38

SMILES COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@]2(CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O)O

Computed descriptors from PubChem (CID 45482323), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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