(Q104396108)

English

[(1S,2S,4Z,8Z,12R,13S)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

(4E,8Z)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

376.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4E,8E,12R,13R)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₅

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canonical SMILES

O=C1OC2CC(C1=C)C(OC(=O)C)CC(=CCCC(=CCCC2(O)C)C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](OC(C)=O)C/C(C)=C\CC/C(C)=C\CC[C@@]2(C)O

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found in taxon

Eunicea calyculata

1 reference

stated in

Calyculones, new cubitane diterpenoids from the Caribbean gorgonian octocoral Eunicea calyculata

Pseudoplexaura

1 reference

stated in

Calyculones, new cubitane diterpenoids from the Caribbean gorgonian octocoral Eunicea calyculata

Pseudoplexaura porosa

1 reference

stated in

Marine antitumor agents: 14-deoxycrassin and pseudoplexaurol, new cembranoid diterpenes from the Caribbean gorgonian Pseudoplexaura porosa

Pseudoplexaura wagenaari

1 reference

stated in

A mammalian cell agar-diffusion assay for the detection of toxic compounds

Identifiers

InChI

InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19(26-17(4)23)18-13-20(27-21(24)16(18)3)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10-,15-9-/t18-,19-,20-,22+/m0/s1

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InChIKey

WMGWWFHPPNGBBT-XLQUWDFMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WMGWWFHPPNGBBT-XLQUWDFMSA-N

1 reference

(Q104396108)

[(1S,2S,4Z,8Z,12R,13S)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate

Statements

Identifiers

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