(Q105359750)

English

[(1R,2S,3S,7S,8R,9R,10R,11R,13S,14R,17R)-2,9,10-triacetyloxy-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

(2,9,10-Triacetyloxy-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

598.18170424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₅ClO₁₂

0 references

canonical SMILES

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

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isomeric SMILES

C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@H]1[C@H](OC(C)=O)[C@@]13O[C@](O)(C(=C)[C@H](Cl)[C@@H]1OC(=O)[C@@H]3C)[C@H](OC(C)=O)[C@@H]2OC(C)=O

0 references

found in taxon

Junceella fragilis

1 reference

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

Identifiers

InChI

InChI=1S/C28H35ClO12/c1-11-9-10-18(36-14(4)30)26(8)19(11)21(37-15(5)31)27-13(3)25(34)40-22(27)20(29)12(2)28(35,41-27)24(39-17(7)33)23(26)38-16(6)32/h13,18-24,35H,1-2,9-10H2,3-8H3/t13-,18-,19+,20-,21-,22-,23-,24+,26-,27+,28+/m0/s1

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InChIKey

YSJIMSSORHGGLO-KNSNFZQCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YSJIMSSORHGGLO-KNSNFZQCSA-N

(Q105359750)

[(1R,2S,3S,7S,8R,9R,10R,11R,13S,14R,17R)-2,9,10-triacetyloxy-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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Identifiers

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