(Q105113425)

English

[(9S,13S,14S)-3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-14-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2(7),3,5,15,17(21)-hexaen-14-yl (2Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.0²,⁷.0⁹,¹³.0¹⁷,²¹]docosa-1(22),2(7),3,5,15,17(21)-hexaen-14-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

496.173332476 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₈O₉

0 references

canonical SMILES

O=C(OC1C2=CC=3OCOC3C=C2C=4C(OC)=C(OC)C(OC)=CC4CC5C(=O)OCC15)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1c2cc3c(cc2-c2c(cc(OC)c(OC)c2OC)C[C@@H]2C(=O)OC[C@H]21)OCO3

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found in taxon

Steganotaenia araliacea

1 reference

stated in

Steganacin and steganangin, novel antileukemic lignan lactones from Steganotaenia araliacea.

Identifiers

InChI

InChI=1S/C27H28O9/c1-6-13(2)26(28)36-23-16-10-20-19(34-12-35-20)9-15(16)22-14(7-17-18(23)11-33-27(17)29)8-21(30-3)24(31-4)25(22)32-5/h6,8-10,17-18,23H,7,11-12H2,1-5H3/b13-6-/t17-,18+,23+/m0/s1

0 references

InChIKey

IIEOCQLKEFBZIS-JZDMEBCNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IIEOCQLKEFBZIS-JZDMEBCNSA-N

(Q105113425)

[(9S,13S,14S)-3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-14-yl] (Z)-2-methylbut-2-enoate

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