(Q105212480)

English

[(1S,3S,4S,7E,11E,13S)-4-acetyl-7,11-dimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.0]hexadeca-7,11-dien-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4-Acetyl-7,11-dimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.0]hexadeca-7,11-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

6beta-Acetyl-5beta-acetoxy-3,3abeta,4,5,6,7,8,11,12,14abeta-decahydro-9,13-dimethyl-3-methylene-2H-cyclotrideca[b]furan-2-one

1 reference

based on heuristic

inferred from InChI

[(1S,3R,4S,7E,11Z,13S)-4-acetyl-7,11-dimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.0]hexadeca-7,11-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)CCC(C(=O)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](C(C)=O)[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)11-20-19(15(3)22(25)27-20)12-21(26-17(5)24)18(10-9-13)16(4)23/h7,11,18-21H,3,6,8-10,12H2,1-2,4-5H3/b13-7+,14-11+/t18-,19+,20+,21+/m1/s1

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InChIKey

POKKLMMGTSYIOG-SGKYRLDUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POKKLMMGTSYIOG-SGKYRLDUSA-N

(Q105212480)

[(1S,3S,4S,7E,11E,13S)-4-acetyl-7,11-dimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.0]hexadeca-7,11-dien-3-yl] acetate

Statements

Identifiers

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