(Q105251271)

English

[(1S,2S,3R,4R,7R,8S,10R,12S,13R,14S,17R)-2,12-diacetyloxy-8-chloro-3,10-dihydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-14-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,12-Diacetyloxy-8-chloro-3,10-dihydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-14-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

558.18678962 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₅ClO₁₁

0 references

canonical SMILES

O=C(OC1CCC2(OC2)C3C(OC(=O)C)C4(O)C(OC(=O)C4C)C(Cl)C(=C)C(O)CC(OC(=O)C)C13C)C

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isomeric SMILES

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

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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/C26H35ClO11/c1-11-16(31)9-18(36-14(4)29)24(6)17(35-13(3)28)7-8-25(10-34-25)20(24)22(37-15(5)30)26(33)12(2)23(32)38-21(26)19(11)27/h12,16-22,31,33H,1,7-10H2,2-6H3/t12-,16+,17-,18-,19-,20+,21-,22-,24+,25-,26-/m0/s1

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InChIKey

SELXBNJIEIRRMW-PPGLDISYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105251271)

[(1S,2S,3R,4R,7R,8S,10R,12S,13R,14S,17R)-2,12-diacetyloxy-8-chloro-3,10-dihydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-14-yl] acetate

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Identifiers

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