(Q105156805)

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CID 53354810

chemical compound

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instance of

type of chemical entity

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1 reference

2-[4-[(3aS,6aR)-6-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

1 reference

1 reference

810.30988552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R)-2-[4-[(3S,3aR,6R,6aS)-6-[4-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S)-2-[4-[(3S,3aR,6S,6aR)-6-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S)-2-[4-[(3S,3aR,6S,6aR)-6-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

1 reference

based on heuristic

inferred from InChI

(1S,2R)-2-[4-[(3R,3aS,6R,6aS)-6-[4-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

1 reference

based on heuristic

inferred from InChI

(1S,2S)-2-[4-[(3S,3aR,6S,6aR)-6-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

1 reference

based on heuristic

inferred from InChI

(1S,2S)-2-{4-[(1R,3aS,4R,6aS)-4-(4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

1 reference

based on heuristic

inferred from InChI

(1R,2S)-2-[4-[(3R,3aS,6R,6aS)-6-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₅₀O₁₆

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=C(OC)C=C(C=C2OC)C3OCC4C(OCC34)C5=CC(OC)=C(OC(CO)C(O)C6=CC=C(O)C(OC)=C6)C(OC)=C5)CO

0 references

isomeric SMILES

COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O

0 references

found in taxon

Euphorbia bupleuroides

1 reference

stated in

Terpenoids and other constituents from Euphorbia bupleuroides

Identifiers

InChI

InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37-,38+,39+,40+/m1/s1

0 references

InChIKey

LSWNERGQFCAXLI-SCQZGMIWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105156805)

CID 53354810

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