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Chemical structure of Cinnamtannin B2

GC71966

Cinnamtannin B2

Also known as (1R,5R,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

Cinnamtannin B2 (compound 12) is a cinnamon tannin isolated from Vaccinium vitis-idaea L

ChemicalCAS88038-12-4MW1153.01FormulaC60H48O24
CAS number
88038-12-4
Molecular weight
1153.01
Formula
C60H48O24
InChIKey
QRQAODSINXAOBF-UKTWWWBFSA-N
Catalogue number
GC71966
Brand
GLPBIO
Computed properties PubChem CID 16130973 · XLogP 4.3 · TPSA 431 Ų · H-bond donors 19
XLogP
4.3
TPSA
431 Ų
H-bond donors
19
H-bond acceptors
24
Rotatable bonds
6
Heavy atoms
84

SMILES C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=C(C(=CC(=C67)O)O)[C@@H]8[C@H]([C@H](OC9=CC(=CC(=C89)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O

Computed descriptors from PubChem (CID 16130973), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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