(Q104967577)

English

(1S,2R,3R,5S,9S,10S,11R)-2-hydroxy-2,11-dimethyl-3-[(2S)-2-methylbutoxy]-6-methylidene-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-7-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-Hydroxy-2,11-dimethyl-3-(2-methylbutoxy)-6-methylidene-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-7-one

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C1OC2C(C1=C)CC(OCC(C)CC)C(O)(C)C34OOC(C=C3)(C)C24

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC[C@@H](C)CC)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23

0 references

found in taxon

Ursinia dentata

1 reference

stated in

Sesquiterpene lactones and other constituents from Ursinia species

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-11(2)10-23-14-9-13-12(3)17(21)24-15(13)16-18(4)7-8-20(16,26-25-18)19(14,5)22/h7-8,11,13-16,22H,3,6,9-10H2,1-2,4-5H3/t11-,13-,14+,15-,16-,18+,19+,20-/m0/s1

0 references

InChIKey

CPJGHMPPQOKSMX-QNQXSHDUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPJGHMPPQOKSMX-QNQXSHDUSA-N

(Q104967577)

(1S,2R,3R,5S,9S,10S,11R)-2-hydroxy-2,11-dimethyl-3-[(2S)-2-methylbutoxy]-6-methylidene-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-7-one

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