(Q105351020)

English

methyl 2-[(1S,3S,7R,8R,9R,12S,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

470.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[(1S,3R,7R,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

8alpha-(3-Furyl)-3,3,4aalpha,7aalpha-tetramethyl-13-methylene-2,10-dioxo-1,3,4,4a,5,6,7,7a,8,10,11,12aalpha-dodecahydro-5beta,11abeta-methano-2H,11aH-9,12-dioxadibenzo[a,d]cyclooctene-4alpha-acetic acid methyl ester

1 reference

based on heuristic

inferred from InChI

methyl 2-[(1R,3R,7S,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate

1 reference

based on heuristic

inferred from InChI

methyl 2-[(1R,3S,7R,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄O₇

0 references

canonical SMILES

O=C(OC)CC1C(C(=O)CC2OC34C(=C)C(CCC4(C)C(OC(=O)C3)C5=COC=C5)C21C)(C)C

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isomeric SMILES

C=C1[C@@H]2CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](CC(=O)OC)[C@]12C

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found in taxon

Xylocarpus granatum

1 reference

stated in

Limonoids from the Seeds of a Hainan Mangrove, Xylocarpus granatum

Identifiers

InChI

InChI=1S/C27H34O7/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-20-12-19(28)24(2,3)18(26(17,20)5)11-21(29)31-6/h8,10,14,17-18,20,23H,1,7,9,11-13H2,2-6H3/t17-,18-,20-,23+,25-,26+,27-/m0/s1

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InChIKey

YNMYHRYTRCKSMI-PCLUCGJQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105351020)

methyl 2-[(1S,3S,7R,8R,9R,12S,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate

Statements

Identifiers

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