(Q104944329)

English

[(1R,2R,4R,6S,8S,9S,10S,11S)-1,6-dimethyl-8,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-7-oxo-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[1,6-Dimethyl-8,10-bis(2-methylbut-2-enoyloxy)-7-oxo-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

544.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4R,6R,8S,9S,10S,11S)-1,6-dimethyl-8,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-7-oxo-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₀O₉

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canonical SMILES

O=C(OC1C(=O)C2(OC2CC(OC(=O)C(=CC)C)C3(OC3C(OC(=O)C(=CC)C)C1C(=C)C)C)C)C(=CC)C

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isomeric SMILES

C=C(C)[C@@H]1[C@H](OC(=O)/C(C)=C\C)C(=O)[C@@]2(C)O[C@@H]2C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)O[C@H]2[C@H]1OC(=O)/C(C)=C\C

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found in taxon

Ligularia latihastata

1 reference

stated in

Natürlich vorkommende Terpen-Derivate, 98. Über Inhaltsstoffe der GattungLigularia

Identifiers

InChI

InChI=1S/C30H40O9/c1-11-16(6)26(32)35-19-14-20-29(9,38-20)24(31)22(36-27(33)17(7)12-2)21(15(4)5)23(25-30(19,10)39-25)37-28(34)18(8)13-3/h11-13,19-23,25H,4,14H2,1-3,5-10H3/b16-11-,17-12-,18-13-/t19-,20-,21-,22+,23+,25+,29+,30-/m1/s1

0 references

InChIKey

BQGPHMLLUVSTFY-JYVYYQARSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BQGPHMLLUVSTFY-JYVYYQARSA-N

(Q104944329)

[(1R,2R,4R,6S,8S,9S,10S,11S)-1,6-dimethyl-8,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-7-oxo-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] (Z)-2-methylbut-2-enoate

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