(Q105204046)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₈

0 references

canonical SMILES

O=C1OC2C=C(C)CCC=C(C)C(OC(=O)C)C(OC(=O)C3(OC3C)C)C2(O)C1=C

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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@]12O

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/C22H28O8/c1-11-8-7-9-12(2)17(27-15(5)23)18(29-20(25)21(6)14(4)30-21)22(26)13(3)19(24)28-16(22)10-11/h9-10,14,16-18,26H,3,7-8H2,1-2,4-6H3/b11-10+,12-9+/t14-,16+,17+,18+,21-,22+/m1/s1

0 references

InChIKey

OZRDSBAJYKLXCX-FLWVOREYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZRDSBAJYKLXCX-FLWVOREYSA-N

(Q105204046)

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

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