(Q105143976)

English

[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-10-(hydroxymethyl)-5-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6-Formyl-10-(hydroxymethyl)-5-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

O=CC1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(C)C)C1OC)CO

0 references

isomeric SMILES

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

0 references

found in taxon

Acanthospermum hispidum

1 reference

stated in

Germacranolides and a new type of guaianolide from Acanthospermum hispidum

Identifiers

InChI

InChI=1S/C20H26O7/c1-11(2)19(23)27-18-16-12(3)20(24)26-15(16)8-13(9-21)6-5-7-14(10-22)17(18)25-4/h7-8,10-11,15-18,21H,3,5-6,9H2,1-2,4H3/b13-8-,14-7-/t15-,16+,17+,18+/m1/s1

0 references

InChIKey

KOSNOBOYWSVACZ-JMSTWJIQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KOSNOBOYWSVACZ-JMSTWJIQSA-N

(Q105143976)

[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-10-(hydroxymethyl)-5-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

Statements

Identifiers

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