(Q105156153)

English

[(1R,2R,3R,4R,7R,8S,9S,12R,13S,14R,17S)-2,14-diacetyloxy-3,8,9-trihydroxy-4,9,13-trimethyl-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,14-Diacetyloxy-3,8,9-trihydroxy-4,9,13-trimethyl-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

542.236326656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₁₂

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canonical SMILES

O=C(OC1CCC(O)(C)C(O)C2OC(=O)C(C)C2(O)C(OC(=O)C)C3C4(OC4)CCC(OC(=O)C)C13C)C

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isomeric SMILES

CC(=O)O[C@@H]1CC[C@](C)(O)[C@@H](O)[C@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H](OC(C)=O)[C@@H]2[C@@]3(CC[C@@H](OC(C)=O)[C@]12C)CO3

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found in taxon

Junceella fragilis

1 reference

stated in

Junceellolides J-L, 11,20-epoxybriaranes from the gorgonian coral Junceella fragilis

Identifiers

InChI

InChI=1S/C26H38O12/c1-12-22(31)38-21-19(30)23(5,32)9-7-16(35-13(2)27)24(6)17(36-14(3)28)8-10-25(11-34-25)18(24)20(26(12,21)33)37-15(4)29/h12,16-21,30,32-33H,7-11H2,1-6H3/t12-,16+,17+,18-,19-,20+,21+,23-,24-,25+,26+/m0/s1

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InChIKey

LRIPAABNJGNVOX-HAIIDGHFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LRIPAABNJGNVOX-HAIIDGHFSA-N

(Q105156153)

[(1R,2R,3R,4R,7R,8S,9S,12R,13S,14R,17S)-2,14-diacetyloxy-3,8,9-trihydroxy-4,9,13-trimethyl-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate

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