(Q104945560)

English

(1R,3R,5R,6S,8R)-5-[(1S)-1-hydroxy-3-oxobutyl]-6-methyl-11-methylidene-4,9-dioxatricyclo[6.3.0.03,5]undecan-10-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-(1-Hydroxy-3-oxobutyl)-6-methyl-11-methylidene-4,9-dioxatricyclo[6.3.0.03,5]undecan-10-one

1 reference

based on heuristic

inferred from SMILES

mass

280.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₀O₅

0 references

canonical SMILES

O=C1OC2CC(C)C3(OC3CC2C1=C)C(O)CC(=O)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@H](C)[C@]3([C@@H](O)CC(C)=O)O[C@@H]3C[C@H]12

0 references

found in taxon

Xanthium strumarium

2 references

stated in

Xanthanolides and a bis-norxanthanolide from Xanthium cavanillesii

stated in

Xanthanolides from Xanthium strumarium

Identifiers

InChI

InChI=1S/C15H20O5/c1-7-4-11-10(9(3)14(18)19-11)6-13-15(7,20-13)12(17)5-8(2)16/h7,10-13,17H,3-6H2,1-2H3/t7-,10+,11+,12-,13+,15+/m0/s1

0 references

InChIKey

BTERVGRTNQJMQT-OLCQZNMOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BTERVGRTNQJMQT-OLCQZNMOSA-N

(Q104945560)

(1R,3R,5R,6S,8R)-5-[(1S)-1-hydroxy-3-oxobutyl]-6-methyl-11-methylidene-4,9-dioxatricyclo[6.3.0.03,5]undecan-10-one

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Identifiers

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