(Q105136218)

English

[(3aS,4S,5R,6E,9S,10E,11aR)-9-acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(9-Acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,5R,6E,9S,10E,11aR)-9-acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4R,5R,6E,9S,10E,11aS)-9-acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C(OC1C(O)C(=CCC(OC(=O)C)C(=CC2OC(=O)C(=C)C21)C)C)C(=CC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Lasiolaena morii

1 reference

stated in

Guaianolides and homoditerpenes from Lasiolaena morii

Identifiers

InChI

InChI=1S/C22H28O7/c1-7-11(2)21(25)29-20-18-14(5)22(26)28-17(18)10-13(4)16(27-15(6)23)9-8-12(3)19(20)24/h7-8,10,16-20,24H,5,9H2,1-4,6H3/b11-7+,12-8+,13-10+/t16-,17+,18-,19+,20-/m0/s1

0 references

InChIKey

JWMHJIFDEKQJQY-KVBQFQOWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105136218)

[(3aS,4S,5R,6E,9S,10E,11aR)-9-acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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