(Q105351023)

English

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

chemical compound

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instance of

type of chemical entity

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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,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

2 references

based on heuristic

inferred from InChIKey

1 reference

inferred from InChIKey

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

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

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

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

Carapa guianensis

1 reference

stated in

The constituents of Carapa guianensis Aubl. and their biogenetic relationship

Cedrela odorata

1 reference

stated in

Sesquiterpenes, triterpenoids, limonoids and flavonoids of Cedrela odorata graft and speculations on the induced resistance against Hypsipyla grandella

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-/m1/s1

0 references

InChIKey

YNMYHRYTRCKSMI-YJJRNNGKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YNMYHRYTRCKSMI-YJJRNNGKSA-N

1 reference

(Q105351023)

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

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Identifiers

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