(Q105282757)

English

[(1S,3R,4R,6S,9E,13E,15S)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.04,6]octadeca-9,13-dien-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4,9,13-Trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.04,6]octadeca-9,13-dien-3-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

374.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3S,4R,6S,9E,13E,15S)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.04,6]octadeca-9,13-dien-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,3R,4S,6R,9E,13E,15S)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.04,6]octadeca-9,13-dien-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1R,3R,4S,6S,9Z,13E,15S)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.04,6]octadeca-9,13-dien-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1S,3R,4R,6S,15S)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.04,6]octadeca-9,13-dien-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₅

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canonical SMILES

O=C1OC2C=C(C)CCC=C(C)CCC3OC3(C)C(OC(=O)C)CC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]3O[C@@]3(C)[C@H](OC(C)=O)C[C@@H]12

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found in taxon

Sinularia gibberosa

1 reference

stated in

Cytotoxic cembranoid diterpenes from a soft coral Sinularia gibberosa

Identifiers

InChI

InChI=1S/C22H30O5/c1-13-7-6-8-14(2)11-18-17(15(3)21(24)26-18)12-20(25-16(4)23)22(5)19(27-22)10-9-13/h7,11,17-20H,3,6,8-10,12H2,1-2,4-5H3/b13-7+,14-11+/t17-,18-,19-,20+,22+/m0/s1

0 references

InChIKey

VAIRPKPEPRJXML-PHAGUCLLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VAIRPKPEPRJXML-PHAGUCLLSA-N

(Q105282757)

[(1S,3R,4R,6S,9E,13E,15S)-4,9,13-trimethyl-18-methylidene-17-oxo-5,16-dioxatricyclo[13.3.0.04,6]octadeca-9,13-dien-3-yl] acetate

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Identifiers

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