(Q110187979)

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Geranin D

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(4->8)-proanthocyanidin

1 reference

based on heuristic

inferred from SMILES

mass

814.189770388 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,7S,15R,19R,26R,27R,31R,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol

1 reference

based on heuristic

inferred from InChIKey

(1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,7R,15S,19S,26R,27S,31S,32S)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,7R,15R,19S,26S,27R,31R,32S)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₃₄O₁₅

0 references

canonical SMILES

OC1=CC=C(C=C1)C2OC=3C(=C(O)C=C4OC5(OC=6C(=C(O)C=C7OC8(OC=9C=C(O)C=C(O)C9C(C76)C8O)C%10=CC=C(O)C=C%10)C(C43)C5O)C%11=CC=C(O)C=C%11)CC2O

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isomeric SMILES

Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc6c(c5O[C@@](c5ccc(O)cc5)(O4)[C@@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O6)[C@H]3O)C[C@@H]2O)cc1

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found in taxon

Geranium niveum

1 reference

stated in

Geranins C and D, additional new antiprotozoal A-type proanthocyanidins from Geranium niveum

Identifiers

InChI

InChI=1S/C45H34O15/c46-21-7-1-18(2-8-21)39-29(53)15-25-26(50)16-31-35(40(25)56-39)38-34-28(52)17-32-36(41(34)60-45(59-31,43(38)55)20-5-11-23(48)12-6-20)37-33-27(51)13-24(49)14-30(33)57-44(58-32,42(37)54)19-3-9-22(47)10-4-19/h1-14,16-17,29,37-39,42-43,46-55H,15H2/t29-,37+,38+,39+,42-,43+,44-,45+/m0/s1

0 references

InChIKey

MMBACJOZVSORQJ-JBVVMADQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMBACJOZVSORQJ-JBVVMADQSA-N

1 reference

(Q110187979)

Geranin D

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