(Q105021635)

English

[(3aS,4R,6R,9E,11R,11aS)-11-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl] (2S)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[11-Hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

366.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,6S,9E,11S,11aS)-11-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl] (2R)-2-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₆

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)[C@@H](C)CC)C[C@H](CO)CC/C=C(\C)[C@H]2O

0 references

found in taxon

Zinnia angustifolia

1 reference

stated in

Eudesmanolides, guaianolides, germacranolides and elemanolides from Zinnia species

Identifiers

InChI

InChI=1S/C20H30O6/c1-5-11(2)19(23)25-15-9-14(10-21)8-6-7-12(3)17(22)18-16(15)13(4)20(24)26-18/h7,11,14-18,21-22H,4-6,8-10H2,1-3H3/b12-7+/t11-,14+,15+,16-,17+,18-/m0/s1

0 references

InChIKey

GVSRLFWWDZXDPH-CEDZERMKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GVSRLFWWDZXDPH-CEDZERMKSA-N

(Q105021635)

[(3aS,4R,6R,9E,11R,11aS)-11-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl] (2S)-2-methylbutanoate

Statements

Identifiers

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