(Q105308465)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C1OC2C=C(C)CCC=C(C)C(OC(=O)C)C(OC(=O)C3(OC3C)C)C2C1=C

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12

0 references

found in taxon

Montanoa hibiscifolia

1 reference

stated in

trans,trans-Germacra-1(10),4-dien-cis-6,12-olides from Montanoa hibiscifolia

Identifiers

InChI

InChI=1S/C22H28O7/c1-11-8-7-9-12(2)18(26-15(5)23)19(28-21(25)22(6)14(4)29-22)17-13(3)20(24)27-16(17)10-11/h9-10,14,16-19H,3,7-8H2,1-2,4-6H3/b11-10+,12-9+/t14-,16+,17-,18-,19-,22-/m1/s1

0 references

InChIKey

WMCCWRHFUWISGU-ZNGVUCFASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WMCCWRHFUWISGU-ZNGVUCFASA-N

(Q105308465)

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

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