Pavetannin B-5 (Q104398621)

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chemical compound

Language	Label	Description	Also known as
English	Pavetannin B-5	chemical compound

Statements

type of chemical entity

0 references

7,13-bis(3,4-dihydroxyphenyl)-5-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol

1 reference

based on heuristic

inferred from SMILES

864.190164312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,5R,6S,7R,13S,21R)-7,13-bis(3,4-dihydroxyphenyl)-5-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChIKey

(1R,5R,6R,7R,13S,21R)-7,13-bis(3,4-dihydroxyphenyl)-5-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol

1 reference

based on heuristic

inferred from InChI

(1S,5R,6S,7R,13R,21S)-7,13-bis(3,4-dihydroxyphenyl)-5-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₃₆O₁₈

0 references

canonical SMILES

OC=1C=C(O)C2=C(OC3(OC4=CC=5OC(C6=CC=C(O)C(O)=C6)C(O)C(C=7C(O)=CC(O)=C8C7OC(C9=CC=C(O)C(O)=C9)C(O)C8)C5C(O)=C4C2C3O)C%10=CC=C(O)C(O)=C%10)C1

0 references

isomeric SMILES

Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc4c(c(O)c3[C@H]2[C@H]1O)[C@H](c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2)[C@H](O)[C@@H](c1ccc(O)c(O)c1)O4

0 references

Pavetta owariensis

1 reference

Dimeric and trimeric proanthocyanidins possessing a doubly linked structure from Pavetta owariensis

Identifiers

InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-30-35(39(36)57)37(40(58)42(60-30)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-29(56)41(61-43(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2/t29-,37+,38+,40+,41-,42-,44-,45-/m1/s1

0 references

SOKYHUMNMVKLJW-UHSIZLLDSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

SOKYHUMNMVKLJW-UHSIZLLDSA-N

UniChem compound ID

1 reference

Sitelinks

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