(Q105350463)

English

[(1R,2R,3S,4S,7S,8R,10E,12R,13R,14S,15R,17S)-2,12,14-triacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-15-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(2,12,14-Triacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-15-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

598.18170424 dalton

1 reference

1 reference

[(1S,2S,3S,4R,7R,8S,10E,12S,13S,14R,15S,17R)-2,12,14-triacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-15-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₅ClO₁₂

0 references

canonical SMILES

O=C(OC1C=CC(=C)C(Cl)C2OC(=O)C(C)C2(O)C(OC(=O)C)C3C4(OC4)CC(OC(=O)C)C(OC(=O)C)C13C)C

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isomeric SMILES

C=C1/C=C/[C@@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]3(CO3)[C@H]2[C@@H](OC(C)=O)[C@@]2(O)[C@H](C)C(=O)O[C@@H]2[C@@H]1Cl

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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/C28H35ClO12/c1-12-8-9-19(38-15(4)31)26(7)21(27(11-36-27)10-18(37-14(3)30)22(26)39-16(5)32)24(40-17(6)33)28(35)13(2)25(34)41-23(28)20(12)29/h8-9,13,18-24,35H,1,10-11H2,2-7H3/b9-8+/t13-,18-,19-,20-,21+,22-,23-,24-,26+,27-,28-/m1/s1

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InChIKey

YMCOBUVXHZEMRB-CWZOTLSKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YMCOBUVXHZEMRB-CWZOTLSKSA-N

(Q105350463)

[(1R,2R,3S,4S,7S,8R,10E,12R,13R,14S,15R,17S)-2,12,14-triacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-15-yl] acetate

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Identifiers

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