(Q105154928)

English

[(1S,2S,3R,4R,7S,8E,10E,12S,13S,14R,16S,17R,18R)-2-acetyloxy-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.03,7.014,16]octadeca-8,10-dien-17-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[2-Acetyloxy-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.03,7.014,16]octadeca-8,10-dien-17-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

498.165660252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,3R,4R,7S,8Z,10E,12S,13S,14R,16S,17R,18R)-2-acetyloxy-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.03,7.014,16]octadeca-8,10-dien-17-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,3S,4S,7S,8E,10Z,12S,13S,14R,16S,17R,18R)-2-acetyloxy-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.03,7.014,16]octadeca-8,10-dien-17-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₄H₃₁ClO₉

0 references

canonical SMILES

O=C(OC1C2OC2C3(C)C(O)C=CC(=CC4OC(=O)C(C)C4(O)C(OC(=O)C)C3C1C)CCl)C

0 references

isomeric SMILES

CC(=O)O[C@H]1[C@H]2[C@@H](C)[C@@H](OC(C)=O)[C@@H]3O[C@@H]3[C@]2(C)[C@@H](O)/C=C/C(CCl)=C\[C@@H]2OC(=O)[C@H](C)[C@@]21O

0 references

found in taxon

Briareum stechei

1 reference

stated in

Briaexcavatolides K-N, new briarane diterpenes from the gorgonian Briareum excavatum

Identifiers

InChI

InChI=1S/C24H31ClO9/c1-10-17-20(32-13(4)27)24(30)11(2)22(29)33-16(24)8-14(9-25)6-7-15(28)23(17,5)21-19(34-21)18(10)31-12(3)26/h6-8,10-11,15-21,28,30H,9H2,1-5H3/b7-6+,14-8+/t10-,11+,15+,16+,17-,18-,19+,20+,21+,23-,24-/m1/s1

0 references

InChIKey

LOUKFFGGKRJYCC-RXHUCVRZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LOUKFFGGKRJYCC-RXHUCVRZSA-N

(Q105154928)

[(1S,2S,3R,4R,7S,8E,10E,12S,13S,14R,16S,17R,18R)-2-acetyloxy-9-(chloromethyl)-3,12-dihydroxy-4,13,18-trimethyl-5-oxo-6,15-dioxatetracyclo[11.5.0.03,7.014,16]octadeca-8,10-dien-17-yl] acetate

Statements

Identifiers

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