(Q105346542)

English

[(4R,5Z,7S,8R,9S)-4-(2-methoxy-2-oxoacetyl)-5-(2-methoxy-2-oxoethylidene)-7,8-dimethyl-2,13,15-trioxatetracyclo[8.6.1.04,17.012,16]heptadeca-1(17),10,12(16)-trien-9-yl] benzoate

chemical compound

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type of chemical entity

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1 reference

[4-(2-Methoxy-2-oxoacetyl)-5-(2-methoxy-2-oxoethylidene)-7,8-dimethyl-2,13,15-trioxatetracyclo[8.6.1.04,17.012,16]heptadeca-1(17),10,12(16)-trien-9-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

536.168247096 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4R,5Z,7R,8R,9R)-4-(2-methoxy-2-oxoacetyl)-5-(2-methoxy-2-oxoethylidene)-7,8-dimethyl-2,13,15-trioxatetracyclo[8.6.1.04,17.012,16]heptadeca-1(17),10,12(16)-trien-9-yl] benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₈O₁₀

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canonical SMILES

O=C(OC)C=C1CC(C)C(C)C(OC(=O)C=2C=CC=CC2)C3=CC=4OCOC4C=5OCC1(C(=O)C(=O)OC)C53

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isomeric SMILES

COC(=O)/C=C1/C[C@H](C)[C@@H](C)[C@H](OC(=O)c2ccccc2)c2cc3c(c4c2[C@@]1(C(=O)C(=O)OC)CO4)OCO3

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found in taxon

Uvaria japonica

1 reference

stated in

A novel anti-HBeAg homolignan, taiwanschirin D from Kadsura matsudai

Kadsura japonica

1 reference

stated in

A novel anti-HBeAg homolignan, taiwanschirin D from Kadsura matsudai

Identifiers

InChI

InChI=1S/C29H28O10/c1-15-10-18(11-21(30)34-3)29(26(31)28(33)35-4)13-36-25-22(29)19(12-20-24(25)38-14-37-20)23(16(15)2)39-27(32)17-8-6-5-7-9-17/h5-9,11-12,15-16,23H,10,13-14H2,1-4H3/b18-11-/t15-,16+,23-,29+/m0/s1

0 references

InChIKey

YCWBIIJFJQIHOP-NBEJUEQJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YCWBIIJFJQIHOP-NBEJUEQJSA-N

(Q105346542)

[(4R,5Z,7S,8R,9S)-4-(2-methoxy-2-oxoacetyl)-5-(2-methoxy-2-oxoethylidene)-7,8-dimethyl-2,13,15-trioxatetracyclo[8.6.1.04,17.012,16]heptadeca-1(17),10,12(16)-trien-9-yl] benzoate

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