(Q104401446)

English

20-Acetylsinularolide C

chemical compound

In more languages

Statements

type of chemical entity

0 references

(14-Hydroxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3R,5S,8Z,12E,14R,15R)-14-hydroxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,3S,5S,8E,12E,14S,15R)-14-hydroxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

20-Acetylsinularolide B

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3R,5S,8E,12E,14R,15R)-14-hydroxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

[(1R,3R,5S,8Z,12E,14S,15R)-14-hydroxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

[(1R,3R,5S,8E,12E,14S,15R)-14-hydroxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₆

0 references

canonical SMILES

O=C1OC2C(O)C(=CCCC(=CCCC3(OC3CC2C1=C)COC(=O)C)C)C

0 references

isomeric SMILES

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

0 references

Lobophytum crassum

1 reference

Structural and stereochemical studies of alpha-methylene-gamma-lactone-bearing cembrane diterpenoids from a south china sea soft coral Lobophytum crassum

Identifiers

InChI=1S/C22H30O6/c1-13-7-5-9-14(2)19(24)20-17(15(3)21(25)27-20)11-18-22(28-18,10-6-8-13)12-26-16(4)23/h8-9,17-20,24H,3,5-7,10-12H2,1-2,4H3/b13-8-,14-9+/t17-,18+,19-,20-,22+/m1/s1

0 references

KORREFUCEHZSEK-DTSVMVHLSA-N

0 references

2 references

26 December 2021

matched by identifier from

KORREFUCEHZSEK-DTSVMVHLSA-N

UniChem compound ID

1 reference

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