(Q105259478)

English

(1R,5R,6R,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4S)-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

chemical compound

In more languages

Statements

type of chemical entity

0 references

5,13-bis(3,4-dihydroxyphenyl)-16-[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

1 reference

based on heuristic

inferred from SMILES

864.190164312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,15R)-2alpha,8-Bis(3,4-dihydroxyphenyl)-3,4-dihydro-10-[(2R)-2alpha-(3,4-dihydroxyphenyl)-3alpha,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4beta-yl]-8beta,14beta-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3alpha,5,11,13,15-pentol

1 reference

based on heuristic

inferred from InChI

Epicatechin-(4beta->8)-epicatechin-(2beta->7,4beta->8)-catechin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₃₆O₁₈

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canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C4=C(O)C=C(O)C5=C4OC6(OC7=CC(O)=C8C(OC(C9=CC=C(O)C(O)=C9)C(O)C8)=C7C5C6O)C%10=CC=C(O)C(O)=C%10)C1

0 references

isomeric SMILES

Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4

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Aesculus hippocastanum

2 references

Procyanidin trimers possessing a doubly linked structure from Aesculus hippocastanum

Procyanidin trimers possessing a doubly linked structure from Aesculus hippocastanum

Identifiers

InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)60-41(16-2-5-21(48)25(52)8-16)39(58)37(33)34-28(55)13-29(56)35-38-36-32(62-45(44(38)59,63-43(34)35)17-3-6-22(49)26(53)9-17)14-23(50)19-12-30(57)40(61-42(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45-/m1/s1

0 references

SRWJAXVAWDYXPA-YQSRNXQVSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

SRWJAXVAWDYXPA-YQSRNXQVSA-N

UniChem compound ID

1 reference

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