(Q105302137)

English

[(1S,2S,3R,4R,7S,8Z,12S,13S,14S,16R)-2,12,14-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-16-yl] propanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(2,12,14-Triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-16-yl) propanoate

1 reference

based on heuristic

inferred from SMILES

mass

564.2570621 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,3R,4S,7R,8Z,12R,13R,14R,16S)-2,12,14-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-16-yl] propanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₀O₁₁

0 references

canonical SMILES

O=C(OC1CCC(=CC2OC(=O)C(C)C2(O)C(OC(=O)C)C3C(=C)C(OC(=O)CC)CC(OC(=O)C)C13C)C)C

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isomeric SMILES

C=C1[C@@H]2[C@H](OC(C)=O)[C@]3(O)[C@H](/C=C(/C)CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(=O)CC)OC(=O)[C@@H]3C

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found in taxon

Junceella fragilis

1 reference

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

Identifiers

InChI

InChI=1S/C29H40O11/c1-9-24(33)39-20-13-22(37-18(6)31)28(8)21(36-17(5)30)11-10-14(2)12-23-29(35,16(4)27(34)40-23)26(38-19(7)32)25(28)15(20)3/h12,16,20-23,25-26,35H,3,9-11,13H2,1-2,4-8H3/b14-12-/t16-,20+,21-,22-,23-,25+,26-,28-,29+/m0/s1

0 references

InChIKey

WCWDRUMWAKDDMS-SGFICEJOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WCWDRUMWAKDDMS-SGFICEJOSA-N

(Q105302137)

[(1S,2S,3R,4R,7S,8Z,12S,13S,14S,16R)-2,12,14-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-16-yl] propanoate

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Identifiers

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