(Q105216512)

English

[(1R,3R,4S,6S,8S,9R,10S,11S)-8-hydroxy-3,8-dimethyl-12-methylidene-9-(2-methylpropoxy)-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl] (E)-but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[8-Hydroxy-3,8-dimethyl-12-methylidene-9-(2-methylpropoxy)-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl] but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

436.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₈

0 references

canonical SMILES

O=C(OC1C(OCC(C)C)C(O)(C(=O)C2OC2C(C)CC3OC(=O)C(=C)C31)C)C=CC

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3O[C@@H]3C(=O)[C@@](C)(O)[C@H](OCC(C)C)[C@@H](OC(=O)/C=C/C)[C@@H]12

0 references

found in taxon

Calea urticifolia

1 reference

stated in

Sesquiterpene lactones of Calea zacatechichi and C. urticifolia

Identifiers

InChI

InChI=1S/C23H32O8/c1-7-8-15(24)30-18-16-13(5)22(26)29-14(16)9-12(4)17-19(31-17)20(25)23(6,27)21(18)28-10-11(2)3/h7-8,11-12,14,16-19,21,27H,5,9-10H2,1-4,6H3/b8-7+/t12-,14-,16+,17+,18+,19+,21-,23-/m1/s1

0 references

InChIKey

PYCLSFYZDXFSKA-GLIINAJGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PYCLSFYZDXFSKA-GLIINAJGSA-N

(Q105216512)

[(1R,3R,4S,6S,8S,9R,10S,11S)-8-hydroxy-3,8-dimethyl-12-methylidene-9-(2-methylpropoxy)-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl] (E)-but-2-enoate

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Identifiers

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