(Q105176169)

English

[(1S,12R,13S,14S)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(19,20-Dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

482.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,12S,13R,14R)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,12R,13R,14R)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,12R,13R,14R)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₀O₈

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canonical SMILES

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

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1c2cc3c(c4c2[C@]2(CO4)C(=CC(=O)C(OC)=C2OC)C[C@H](C)[C@@H]1C)OCO3

0 references

found in taxon

Kadsura heteroclita

2 references

stated in

Compounds from Kadsura heteroclita and related anti-HIV activity

stated in

Interiotherins C and D, two new lignans from Kadsura interior and antitumor-promoting effects of related neolignans on Epstein-Barr virus activation

Kadsura interior

1 reference

stated in

Interiotherins C and D, two new lignans from Kadsura interior and antitumor-promoting effects of related neolignans on Epstein-Barr virus activation

Identifiers

InChI

InChI=1S/C27H30O8/c1-7-13(2)26(29)35-21-15(4)14(3)8-16-9-18(28)22(30-5)25(31-6)27(16)11-32-24-20(27)17(21)10-19-23(24)34-12-33-19/h7,9-10,14-15,21H,8,11-12H2,1-6H3/b13-7+/t14-,15-,21+,27-/m0/s1

0 references

InChIKey

NACPYYYBTUKNNL-XPTUYPIASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105176169)

[(1S,12R,13S,14S)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (E)-2-methylbut-2-enoate

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