(Q104991157)

English

[(1S,12S,13S,14S,15R)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-12-[(Z)-2-methylbut-2-enoyl]oxy-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-15-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[14-Hydroxy-18,19-dimethoxy-13,14-dimethyl-12-(2-methylbut-2-enoyloxy)-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-15-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

618.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₄O₁₁

0 references

canonical SMILES

O=C(OC1C2=CC(OC)=C(OC)C(=O)C32C4=C(OC3)C=5OCOC5C=C4C(OC(=O)C(=CC)C)C(C)C1(O)C)C=6C=CC=CC6

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)C=C2[C@@H](OC(=O)c2ccccc2)[C@@](C)(O)[C@H]1C)OCO3

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found in taxon

Kadsura heteroclita

1 reference

stated in

Four New Lignans from Kadsura heteroclita

Kadsura philippinensis

1 reference

stated in

Kadsuphilols A-H, oxygenated lignans from Kadsura philippinensis.

Identifiers

InChI

InChI=1S/C34H34O11/c1-7-17(2)31(36)44-25-18(3)33(4,38)30(45-32(37)19-11-9-8-10-12-19)21-14-22(39-5)27(40-6)29(35)34(21)15-41-28-24(34)20(25)13-23-26(28)43-16-42-23/h7-14,18,25,30,38H,15-16H2,1-6H3/b17-7-/t18-,25-,30+,33-,34-/m0/s1

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InChIKey

DXQWWPXSKMXYIB-FSCIHCLTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104991157)

[(1S,12S,13S,14S,15R)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-12-[(Z)-2-methylbut-2-enoyl]oxy-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-15-yl] benzoate

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