(Q105292865)

English

[(1S,12R,13R,14S,15S,16S,17S)-16-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8,22-tetraoxahexacyclo[9.9.1.115,17.01,16.04,21.05,9]docosa-4(21),5(9),10,18-tetraen-12-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(16-Hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8,22-tetraoxahexacyclo[9.9.1.115,17.01,16.04,21.05,9]docosa-4(21),5(9),10,18-tetraen-12-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

514.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₀

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canonical SMILES

O=C(OC1C2=CC=3OCOC3C=4OCC5(C(=O)C(OC)=C(OC)C6OC(C(C)C1C)C65O)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@H]4O[C@@H]([C@@H](C)[C@H]1C)[C@]42O)OCO3

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found in taxon

Kadsura heteroclita

1 reference

stated in

Compounds from Kadsura heteroclita and related anti-HIV activity

Identifiers

InChI

InChI=1S/C27H30O10/c1-7-11(2)25(29)36-17-12(3)13(4)23-27(30)24(37-23)21(32-6)20(31-5)22(28)26(27)9-33-19-16(26)14(17)8-15-18(19)35-10-34-15/h7-8,12-13,17,23-24,30H,9-10H2,1-6H3/b11-7-/t12-,13+,17-,23+,24-,26+,27+/m1/s1

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InChIKey

VTMQDWWRUQRUCV-AXQKOXEDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105292865)

[(1S,12R,13R,14S,15S,16S,17S)-16-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8,22-tetraoxahexacyclo[9.9.1.115,17.01,16.04,21.05,9]docosa-4(21),5(9),10,18-tetraen-12-yl] (Z)-2-methylbut-2-enoate

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