(Q104946240)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(4-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-8-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

306.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₅

0 references

canonical SMILES

O=C1OC2C=C(C)CC(OC(=O)C)C=C(C)CC(O)C2C1=C

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isomeric SMILES

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

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found in taxon

Mikania grazielae

1 reference

stated in

Germacranolides from Mikania grazielae

Identifiers

InChI

InChI=1S/C17H22O5/c1-9-5-13(21-12(4)18)6-10(2)8-15-16(14(19)7-9)11(3)17(20)22-15/h5,8,13-16,19H,3,6-7H2,1-2,4H3/b9-5+,10-8+/t13-,14-,15-,16-/m1/s1

0 references

InChIKey

BUPVWHHGBIRMBD-BTZAFQRHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BUPVWHHGBIRMBD-BTZAFQRHSA-N

(Q104946240)

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

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