(Q105379410)

English

[(1S,2R,3R,4R,7R,8S,10S,11E,13S,17S)-2,17-diacetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-11,14-dien-10-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2,17-Diacetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-11,14-dien-10-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

538.160574872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3R,4R,7R,8R,10S,11E,13S,17R)-2,17-diacetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-11,14-dien-10-yl] acetate

1 reference

based on heuristic

inferred from InChIKey

Erythrolide B

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,3R,4R,7R,8S,10S,11Z,13S,17S)-2,17-diacetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-11,14-dien-10-yl] acetate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₆H₃₁ClO₁₀

0 references

canonical SMILES

O=C(OC1C=CC2(C=CC(=O)C(OC(=O)C)(C)C2C(OC(=O)C)C3(O)C(OC(=O)C3C)C(Cl)C1=C)C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Briareum asbestinum

1 reference

stated in

New briarein diterpenes from the Caribbean gorgonians Erythropodium caribaeorum and Briareum sp

Identifiers

InChI

InChI=1S/C26H31ClO10/c1-12-17(34-14(3)28)8-10-24(6)11-9-18(31)25(7,37-16(5)30)20(24)22(35-15(4)29)26(33)13(2)23(32)36-21(26)19(12)27/h8-11,13,17,19-22,33H,1H2,2-7H3/b10-8+/t13-,17-,19-,20+,21-,22+,24-,25+,26-/m0/s1

0 references

InChIKey

ZMERMQBCOJBQPB-NBKSOLDASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZMERMQBCOJBQPB-NBKSOLDASA-N

(Q105379410)

[(1S,2R,3R,4R,7R,8S,10S,11E,13S,17S)-2,17-diacetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-11,14-dien-10-yl] acetate

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Identifiers

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