(Q105292976)

English

Rhusemialin B

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3,4,5-Trihydroxy-6-[[8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

758.278585392 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₆O₁₆

0 references

canonical SMILES

O=C(OCC1OC(OC2=C(OC)C=C3C(=C2OC)C(C4=CC(OC)=C(O)C(OC)=C4)C(CO)C(CO)C3)C(O)C(O)C1O)C=CC5=CC=C(O)C(OC)=C5

0 references

isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(OC)cc4c(c3OC)[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO)[C@H](CO)C4)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

0 references

found in taxon

Rhus chinensis

1 reference

stated in

Rhusemialins A-C, new cyclolignan esters from the roots of Rhus javanica var. roxburghiana

Identifiers

InChI

InChI=1S/C38H46O16/c1-47-24-10-18(6-8-23(24)41)7-9-29(42)52-17-28-33(44)34(45)35(46)38(53-28)54-36-27(50-4)14-19-11-21(15-39)22(16-40)30(31(19)37(36)51-5)20-12-25(48-2)32(43)26(13-20)49-3/h6-10,12-14,21-22,28,30,33-35,38-41,43-46H,11,15-17H2,1-5H3/b9-7+/t21-,22-,28+,30+,33+,34-,35+,38-/m0/s1

0 references

InChIKey

VTSGFOLYVXXSBE-YTGMFXLRSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

VTSGFOLYVXXSBE-YTGMFXLRSA-N

1 reference

(Q105292976)

Rhusemialin B

Statements

Identifiers

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