(Q104399281)

English

Isovaticanol B

chemical compound

In more languages

Statements

type of chemical entity

0 references

3-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

1 reference

based on heuristic

inferred from SMILES

906.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,3S,9R,10R,17R)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2S,3S,9S,10R,17R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

1 reference

based on heuristic

inferred from InChI

(1S,2R,3R,9S,10S,17S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.0⁴,¹⁸.0⁷,¹⁹.0¹¹,¹⁶]nonadeca-4,6,11,13,15,18-hexaene-5,13,15-triol

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₆H₄₂O₁₂

0 references

canonical SMILES

OC1=CC=C(C=C1)C2OC3=CC(O)=CC(=C3C2C=4C=C(O)C=C(O)C4)C5C6=C(O)C=C7OC(C8=CC=C(O)C=C8)C9C=%10C=C(O)C=C(O)C%10C(C%11=CC=C(O)C=C%11)C(C6=C79)C5C%12=CC=C(O)C=C%12

0 references

isomeric SMILES

Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1

0 references

Upuna borneensis

1 reference

Resveratrol derivatives from Upuna borneensis

Vatica pauciflora

1 reference

New resveratrol oligomers in the stem bark of Vatica pauciflora

Identifiers

InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46-,49-,50-,53+,55-,56+/m0/s1

0 references

VOANMQWFRWOKSM-VMHVPZBPSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

VOANMQWFRWOKSM-VMHVPZBPSA-N

UniChem compound ID

1 reference

Sitelinks

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