(Q105029241)

English

[(1S,3R,8S,9S,10R,11S,13R)-11-acetyloxy-3-hydroxy-6,9,10-trimethyl-5-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-8-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(11-Acetyloxy-3-hydroxy-6,9,10-trimethyl-5-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-8-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3S,8S,9S,10R,11S,13R)-11-acetyloxy-3-hydroxy-6,9,10-trimethyl-5-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-8-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₈

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2(O)CC34OC4CC(OC(=O)C)C(C)C13C)C)C(=CC)C

0 references

isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@]23O[C@@H]2C[C@H](OC(C)=O)[C@H](C)[C@@]13C

0 references

found in taxon

Pittocaulon praecox

1 reference

stated in

Eremophilane Derivatives from Pittocaulon praecox

Identifiers

InChI

InChI=1S/C22H28O8/c1-7-10(2)18(24)28-17-16-11(3)19(25)30-22(16,26)9-21-15(29-21)8-14(27-13(5)23)12(4)20(17,21)6/h7,12,14-15,17,26H,8-9H2,1-6H3/b10-7-/t12-,14-,15+,17+,20-,21+,22+/m0/s1

0 references

InChIKey

HJGNQXYRDPMTDY-MUJAZIGGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HJGNQXYRDPMTDY-MUJAZIGGSA-N

(Q105029241)

[(1S,3R,8S,9S,10R,11S,13R)-11-acetyloxy-3-hydroxy-6,9,10-trimethyl-5-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-8-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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