(Q105009363)

English

[(1S,12S,13S,14S,15R)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-15-[(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-12-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-15-(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-12-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

618.210111908 dalton

1 reference

1 reference

C₃₄H₃₄O₁₁

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canonical SMILES

O=C(OC1C2=CC=3OCOC3C=4OCC5(C(=O)C(OC)=C(OC)C=C5C(OC(=O)C(=CC)C)C(O)(C)C1C)C42)C=6C=CC=CC6

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C2=CC(OC)=C(OC)C(=O)[C@@]23COc2c4c(cc(c23)[C@@H](OC(=O)c2ccccc2)[C@H](C)[C@]1(C)O)OCO4

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

0 references

InChIKey

GJFVFQBZXOSDTN-FSCIHCLTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GJFVFQBZXOSDTN-FSCIHCLTSA-N

(Q105009363)

[(1S,12S,13S,14S,15R)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-15-[(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-12-yl] benzoate

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Identifiers

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