(Q105210176)

English

[(1R,2R,3S,8R,11R,12R,14R,16S,17R,18R,19R)-18,19-diacetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,10-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[18,19-Diacetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,10-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

600.2570621 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₁₁

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C2(C)C(C3=COC=C3)CC4OC42C5(C(=O)CC6C(OC(=O)CC(OC(=O)C)C6(C)C15)(C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@@]534)[C@@]12C

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found in taxon

Munronia pinnata

1 reference

stated in

Bioactive Limonoid Constituents of Munronia henryi

Identifiers

InChI

InChI=1S/C32H40O11/c1-15(33)39-22-13-24(37)43-28(4,5)20-12-21(36)31(8)26(29(20,22)6)25(40-16(2)34)27(41-17(3)35)30(7)19(18-9-10-38-14-18)11-23-32(30,31)42-23/h9-10,14,19-20,22-23,25-27H,11-13H2,1-8H3/t19-,20-,22-,23+,25+,26+,27-,29+,30+,31+,32+/m0/s1

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InChIKey

PJVXBOYDHCOCQI-ULEHYZKJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PJVXBOYDHCOCQI-ULEHYZKJSA-N

1 reference

(Q105210176)

[(1R,2R,3S,8R,11R,12R,14R,16S,17R,18R,19R)-18,19-diacetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,10-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-3-yl] acetate

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Identifiers

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