(Q105160177)

English

(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

chemical compound

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No label defined

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Statements

type of chemical entity

0 references

2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

1 reference

based on heuristic

inferred from SMILES

866.205814376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-6-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₃₈O₁₈

0 references

canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)C(C7=C(O)C=C8OC(C9=CC=C(O)C(O)=C9)C(O)CC8=C7O)C5=C4O)C1

0 references

isomeric SMILES

Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@H](c1c(O)cc3c(c1O)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O3)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2

0 references

Aesculus hippocastanum

2 references

Tannins and related compounds. LIX. Aesculitannins, novel proanthocyandins with doubly-bonded structures from aesculus hippocastanum L.

Procyanidin trimers possessing a doubly linked structure from Aesculus hippocastanum

Kandelia candel

1 reference

Tannins and related compounds. XXXI. Isolation and characterization of proanthocyanidins in Kandelia candel (L.) Druce.

Identifiers

InChI=1S/C45H38O18/c46-18-10-26(53)33-31(11-18)62-44(16-2-5-21(48)24(51)8-16)41(59)37(33)35-28(55)14-32-36(40(35)58)38(42(60)45(63-32)17-3-6-22(49)25(52)9-17)34-27(54)13-30-19(39(34)57)12-29(56)43(61-30)15-1-4-20(47)23(50)7-15/h1-11,13-14,29,37-38,41-60H,12H2/t29-,37-,38+,41-,42-,43-,44-,45-/m1/s1

0 references

LZWPUQXLJHIUFD-VYVBCXQGSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

LZWPUQXLJHIUFD-VYVBCXQGSA-N

UniChem compound ID

1 reference

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