(Q105292098)

English

[(1S,2R,3R,7R,8S,9R,11R,13R,14S,17S)-2,9-diacetyloxy-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-7-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,9-Diacetyloxy-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-7-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

540.176224936 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₃ClO₁₀

0 references

canonical SMILES

O=C(OC1CCC(=C)C2C(OC(=O)C)C34OC(O)(C(=C)C(Cl)C4OC(=O)C3C)CC(OC(=O)C)C12C)C

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isomeric SMILES

C=C1CC[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)C[C@@]3(O)O[C@@]4([C@H](C)C(=O)O[C@@H]4[C@H](Cl)C3=C)[C@H](OC(C)=O)[C@H]12

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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/C26H33ClO10/c1-11-8-9-17(33-14(4)28)24(7)18(34-15(5)29)10-25(32)12(2)20(27)22-26(37-25,13(3)23(31)36-22)21(19(11)24)35-16(6)30/h13,17-22,32H,1-2,8-10H2,3-7H3/t13-,17-,18-,19+,20-,21-,22-,24+,25-,26+/m1/s1

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InChIKey

VSATZNAMFMGSHA-VPUBRRHFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VSATZNAMFMGSHA-VPUBRRHFSA-N

(Q105292098)

[(1S,2R,3R,7R,8S,9R,11R,13R,14S,17S)-2,9-diacetyloxy-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-7-yl] acetate

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