(Q105252826)

English

[(1R,2R,3R,4S,7R,8Z,12R,13R,14S,15R)-2,14,15-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,14,15-Triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

550.241412036 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,3R,4R,7S,8Z,12S,13S,14R,15S)-2,14,15-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate

1 reference

1 reference

C₂₈H₃₈O₁₁

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canonical SMILES

O=C(OC1CC(=C)C2C(OC(=O)C)C3(O)C(OC(=O)C3C)C=C(C)CCC(OC(=O)C)C2(C)C1OC(=O)C)C

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isomeric SMILES

C=C1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)CC/C(C)=C\[C@H]3OC(=O)[C@@H](C)[C@]3(O)[C@H](OC(C)=O)[C@H]12

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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/C28H38O11/c1-13-9-10-21(36-17(5)30)27(8)23(14(2)12-20(35-16(4)29)24(27)37-18(6)31)25(38-19(7)32)28(34)15(3)26(33)39-22(28)11-13/h11,15,20-25,34H,2,9-10,12H2,1,3-8H3/b13-11-/t15-,20-,21-,22-,23+,24-,25-,27+,28-/m1/s1

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InChIKey

SHBNTXRJWGWSCS-OPGBHZFNSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105252826)

[(1R,2R,3R,4S,7R,8Z,12R,13R,14S,15R)-2,14,15-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] acetate

Statements

Identifiers

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