(Q104923031)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

508.230847352 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₆O₁₀

0 references

canonical SMILES

O=C(OC1CCC(=CC2OC(=O)C(C)C2(O)C(OC(=O)C)C3C4(OC4)CCC(OC(=O)C)C13C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC/C(C)=C\[C@@H]2OC(=O)[C@H](C)[C@]2(O)[C@@H](OC(C)=O)[C@@H]2[C@]1(C)[C@@H](OC(C)=O)CC[C@]21CO1

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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/C26H36O10/c1-13-7-8-18(33-15(3)27)24(6)19(34-16(4)28)9-10-25(12-32-25)21(24)22(35-17(5)29)26(31)14(2)23(30)36-20(26)11-13/h11,14,18-22,31H,7-10,12H2,1-6H3/b13-11-/t14-,18-,19-,20-,21+,22-,24-,25-,26+/m0/s1

0 references

InChIKey

BBSUFGRORDMNJA-QHPUQMJKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BBSUFGRORDMNJA-QHPUQMJKSA-N

(Q104923031)

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

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