(Q105314216)

English

[(3aR,4S,5E,9E,11aS)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6,10-Bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C(OC1C=C(CO)CCC=C(CO)CC2OC(=O)C(=C)C12)C(=CC)C

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isomeric SMILES

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

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found in taxon

Richterago discoidea

1 reference

stated in

Five germacranolides from Gochnatia discoidea

Identifiers

InChI

InChI=1S/C20H26O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h4,7-8,16-18,21-22H,3,5-6,9-11H2,1-2H3/b12-4+,14-8+,15-7+/t16-,17-,18-/m0/s1

0 references

InChIKey

WWQFQBLLNPLMNS-CGHIJZAESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WWQFQBLLNPLMNS-CGHIJZAESA-N

(Q105314216)

[(3aR,4S,5E,9E,11aS)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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