(Q105162462)

English

[(1S,12R,13S,14S,15S,16R)-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),10,18-tetraen-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),10,18-tetraen-15-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

620.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₆O₁₁

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canonical SMILES

O=C(OC1C2CC(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[C@H]2[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

Compounds from Kadsura heteroclita and related anti-HIV activity

Kadsura philippinensis

1 reference

stated in

Kadsuphilols A-H, oxygenated lignans from Kadsura philippinensis.

Identifiers

InChI

InChI=1S/C34H36O11/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/h7-13,18,21,25,30,38H,14-16H2,1-6H3/b17-7-/t18-,21-,25+,30-,33-,34-/m0/s1

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InChIKey

MEWXBVHFCDFAIG-LSYSGNRASA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105162462)

[(1S,12R,13S,14S,15S,16R)-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),10,18-tetraen-15-yl] benzoate

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Identifiers

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