(Q105280712)

English

[(1R,2R,4S,6S,8S,10R)-12-(acetyloxymethyl)-6-hydroxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

12-[(acetyloxy)methyl]-6-hydroxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

422.157682412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₉

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2C3OC3(C)CC(O)C(=O)C(C)C1)COC(=O)C)C(=C)C

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isomeric SMILES

C=C(C)C(=O)O[C@@H]1C[C@H](C)C(=O)[C@@H](O)C[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(COC(C)=O)=C12

0 references

found in taxon

Vernonanthura chamaedrys

2 references

stated in

Glaucolides and related sesquiterpene lactones from Vernonia chamaedrys

stated in

Diterpenes from Vernonanthura amplexicaulis

Identifiers

InChI

InChI=1S/C21H26O9/c1-9(2)19(25)28-14-6-10(3)16(24)13(23)7-21(5)18(30-21)17-15(14)12(20(26)29-17)8-27-11(4)22/h10,13-14,17-18,23H,1,6-8H2,2-5H3/t10-,13-,14+,17+,18+,21-/m0/s1

0 references

InChIKey

UXCMMWBPZGSBIK-XZIWGFAYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105280712)

[(1R,2R,4S,6S,8S,10R)-12-(acetyloxymethyl)-6-hydroxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-methylprop-2-enoate

Statements

Identifiers

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