(Q105257110)

English

methyl (1S,2S,3S,4R,7S,8E,10R,12S,13R,14S)-2,10,12,14-tetraacetyloxy-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-ene-9-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2,10,12,14-tetraacetyloxy-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-ene-9-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

594.231241276 dalton

1 reference

1 reference

C₂₉H₃₈O₁₃

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canonical SMILES

O=C(OC)C1=CC2OC(=O)C(C)C2(O)C(OC(=O)C)C3C(=C)CCC(OC(=O)C)C3(C)C(OC(=O)C)CC1OC(=O)C

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isomeric SMILES

C=C1CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C(=O)OC)=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

3 references

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

stated in

Discovery of New Chlorinated Briaranes fromJunceella fragilis

Identifiers

InChI

InChI=1S/C29H38O13/c1-13-9-10-21(39-16(4)31)28(7)22(40-17(5)32)12-20(38-15(3)30)19(27(35)37-8)11-23-29(36,14(2)26(34)42-23)25(24(13)28)41-18(6)33/h11,14,20-25,36H,1,9-10,12H2,2-8H3/b19-11+/t14-,20+,21-,22-,23-,24+,25-,28+,29-/m0/s1

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InChIKey

SOQFUADBXGVECU-JKQCREBTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SOQFUADBXGVECU-JKQCREBTSA-N

1 reference

(Q105257110)

methyl (1S,2S,3S,4R,7S,8E,10R,12S,13R,14S)-2,10,12,14-tetraacetyloxy-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-ene-9-carboxylate

Statements

Identifiers

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