(Q105342334)

English

[(1S,12S,13R,14S,15R)-15-hydroxy-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] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(15-Hydroxy-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) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(1S)-15-hydroxy-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] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

498.18898254 dalton

1 reference

1 reference

C₂₇H₃₀O₉

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canonical SMILES

O=C(OC1C2=CC=3OCOC3C=4OCC5(C(=O)C(OC)=C(OC)C=C5C(O)C(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(=O)C(OC)=C(OC)C=C2[C@H](O)[C@@H](C)[C@H]1C)OCO3

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found in taxon

Kadsura heteroclita

1 reference

stated in

Isolation of novel lignans, heteroclitins F and G, from the stems of Kadsura heteroclita, and anti-lipid peroxidative actions of heteroclitins A-G and related compounds in the in vitro rat liver homogenate system

Identifiers

InChI

InChI=1S/C27H30O9/c1-7-12(2)26(30)36-21-14(4)13(3)20(28)16-9-17(31-5)23(32-6)25(29)27(16)10-33-24-19(27)15(21)8-18-22(24)35-11-34-18/h7-9,13-14,20-21,28H,10-11H2,1-6H3/b12-7+/t13-,14+,20+,21-,27-/m0/s1

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InChIKey

XUIUDMCZUMRZDC-GNSHUBFVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XUIUDMCZUMRZDC-GNSHUBFVSA-N

(Q105342334)

[(1S,12S,13R,14S,15R)-15-hydroxy-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] (E)-2-methylbut-2-enoate

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Identifiers

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