(Q104917772)

English

[(1S,2S,4R,7E,9S,11S)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-9-yl] (E)-3-methylpent-3-enoate

chemical compound

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Statements

type of chemical entity

0 references

(4,8-Dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-9-yl) 3-methylpent-3-enoate

1 reference

based on heuristic

inferred from SMILES

360.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4R,7E,9S,11S)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-9-yl] (E)-3-methylpent-3-enoate

1 reference

based on heuristic

inferred from InChI

[(1S,2R,4R,9S,11S)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-9-yl] 3-methylpent-3-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₅

0 references

canonical SMILES

O=C1OC2C3OC3(C)CCC=C(C)C(OC(=O)CC(=CC)C)CC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)C/C(C)=C/C)/C(C)=C/CC[C@@]1(C)O[C@@H]21

0 references

Pentanema candidum

1 reference

Terpenes from Inula verbascifolia

Identifiers

InChI=1S/C21H28O5/c1-6-12(2)10-17(22)24-16-11-15-14(4)20(23)25-18(15)19-21(5,26-19)9-7-8-13(16)3/h6,8,15-16,18-19H,4,7,9-11H2,1-3,5H3/b12-6+,13-8+/t15-,16-,18-,19-,21+/m0/s1

0 references

ASELCIPDGVTGCJ-AVQJDTQASA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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