(Q111242112)

English

[(3aR,4S,5S,6S,10E,11aS)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

422.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₈

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canonical SMILES

O=C1OC2C=C(C)CCC(=O)C(O)(C)C(OC(=O)C)C(OC(=O)CC(C)C)C2C1=C

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isomeric SMILES

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

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found in taxon

Trichogonia prancii

1 reference

stated in

Neue Sesquiterpenlactone und Rosan-Derivate ausTrichogonia-Arten

Identifiers

InChI

InChI=1S/C22H30O8/c1-11(2)9-17(25)30-19-18-13(4)21(26)29-15(18)10-12(3)7-8-16(24)22(6,27)20(19)28-14(5)23/h10-11,15,18-20,27H,4,7-9H2,1-3,5-6H3/b12-10+/t15-,18+,19-,20-,22+/m0/s1

0 references

InChIKey

YSWOJEFUEWVYNN-CZSPLYFFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YSWOJEFUEWVYNN-CZSPLYFFSA-N

(Q111242112)

[(3aR,4S,5S,6S,10E,11aS)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

Statements

Identifiers

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