(Q105325807)

English

[(1R,2R,4R,6R,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[17-Acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

598.314183052 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₆O₉

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)COC3C(O)C4(C5=C(C)C(C6=COC=C6)CC5OC(OC)CC4C1(C)C32)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@H]5O[C@@H](OC)C[C@@H]4[C@]1(C)[C@@H]32

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found in taxon

Munronia pinnata

1 reference

stated in

Bioactive Limonoid Constituents of Munronia henryi

Identifiers

InChI

InChI=1S/C34H46O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23-13-26(38-8)42-22-12-21(20-10-11-39-15-20)18(3)27(22)34(23,7)30(28)36/h9-11,15,21-26,28-30,36H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23-,24-,25+,26-,28-,29+,30-,32-,33+,34-/m1/s1

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InChIKey

XDLKVPLICUIRQM-PHHWVVQSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XDLKVPLICUIRQM-PHHWVVQSSA-N

1 reference

(Q105325807)

[(1R,2R,4R,6R,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate

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Identifiers

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