(Q104991253)

English

[(1R,2S,3R,7R,8S,9S,10R,13S)-1,9-dihydroxy-9,13-dimethyl-4-methylidene-8-(2-methylpropanoyloxy)-5-oxo-6,14-dioxatricyclo[8.3.1.03,7]tetradecan-2-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[1,9-Dihydroxy-9,13-dimethyl-4-methylidene-8-(2-methylpropanoyloxy)-5-oxo-6,14-dioxatricyclo[8.3.1.03,7]tetradecan-2-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

454.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3R,7R,8S,9R,10R,13R)-1,9-dihydroxy-9,13-dimethyl-4-methylidene-8-(2-methylpropanoyloxy)-5-oxo-6,14-dioxatricyclo[8.3.1.03,7]tetradecan-2-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₄O₉

0 references

canonical SMILES

O=C1OC2C(OC(=O)C(C)C)C(O)(C)C3OC(O)(C(OC(=O)C(C)C)C2C1=C)C(C)CC3

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H](OC(=O)C(C)C)[C@@](C)(O)[C@H]3CC[C@H](C)[C@@](O)(O3)[C@@H](OC(=O)C(C)C)[C@H]12

0 references

found in taxon

Duhaldea cuspidata

1 reference

stated in

Further ineupatorolide-like germacranolides from Inula cuspidata

Identifiers

InChI

InChI=1S/C23H34O9/c1-10(2)19(24)30-17-15-13(6)21(26)29-16(15)18(31-20(25)11(3)4)22(7,27)14-9-8-12(5)23(17,28)32-14/h10-12,14-18,27-28H,6,8-9H2,1-5,7H3/t12-,14+,15+,16+,17-,18-,22-,23+/m0/s1

0 references

InChIKey

DXYDSSOEDQWWLR-IDLXQLSBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DXYDSSOEDQWWLR-IDLXQLSBSA-N

(Q104991253)

[(1R,2S,3R,7R,8S,9S,10R,13S)-1,9-dihydroxy-9,13-dimethyl-4-methylidene-8-(2-methylpropanoyloxy)-5-oxo-6,14-dioxatricyclo[8.3.1.03,7]tetradecan-2-yl] 2-methylpropanoate

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