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Chemical structure of Cannabisin B

GC71878

Cannabisin B

Also known as (1S,2R)-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-1,2-dihydronaphthalene-2,3-dicarboxamide

Cannabisin B (Compound 7) is a compound isolated from the aerial part of Tetragonia tetragonioides (New Zealand spinach)

ChemicalCAS144506-17-2MW596.63FormulaC34H32N2O8
CAS number
144506-17-2
Molecular weight
596.63
Formula
C34H32N2O8
InChIKey
XENYXHLAFMZULS-ACHIHNKUSA-N
Catalogue number
GC71878
Brand
GLPBIO
Computed properties PubChem CID 71448963 · XLogP 4.2 · TPSA 180 Ų · H-bond donors 8
XLogP
4.2
TPSA
180 Ų
H-bond donors
8
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
44

SMILES C1=CC(=CC=C1CCNC(=O)[C@@H]2[C@H](C3=CC(=C(C=C3C=C2C(=O)NCCC4=CC=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O

Computed descriptors from PubChem (CID 71448963), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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