(Q105240858)

English

[(1R,12R,13R,14R)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate

chemical compound

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type of chemical entity

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1 reference

(12R,13S,14S)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl benzoate

1 reference

based on heuristic

inferred from SMILES

(18,19-Dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

504.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,12S,13S,14S)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate

1 reference

1 reference

C₂₉H₂₈O₈

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canonical SMILES

O=C(OC1C2=CC=3OCOC3C=4OCC5(C(=O)C(OC)=C(OC)C=C5CC(C)C1C)C42)C=6C=CC=CC6

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isomeric SMILES

COC1=C(OC)C(=O)[C@@]23COc4c5c(cc(c42)[C@H](OC(=O)c2ccccc2)[C@H](C)[C@H](C)CC3=C1)OCO5

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found in taxon

Kadsura coccinea

1 reference

stated in

Dibenzocyclooctadiene lignans possessing a spirobenzofuranoid skeleton from Kadsura coccinea

Identifiers

InChI

InChI=1S/C29H28O8/c1-15-10-18-11-20(32-3)25(33-4)27(30)29(18)13-34-26-22(29)19(12-21-24(26)36-14-35-21)23(16(15)2)37-28(31)17-8-6-5-7-9-17/h5-9,11-12,15-16,23H,10,13-14H2,1-4H3/t15-,16-,23-,29-/m1/s1

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InChIKey

RMKQIKRRIGHWHR-WEVBHAASSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105240858)

[(1R,12R,13R,14R)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate

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