(Q105364951)

English

[(1R,2R,4S,6S,9E,11R)-4-(hydroxymethyl)-9-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[4-(Hydroxymethyl)-9-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4R,6R,9E,11R)-4-(hydroxymethyl)-9-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,4S,6R,9Z,11R)-4-(hydroxymethyl)-9-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1R,2R,4R,6R,9E,11R)-4-(hydroxymethyl)-9-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C(OC1CC2(OC2CCC(=CC3OC(=O)C(=C)C31)C)CO)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@@H]3O[C@]3(CO)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12

0 references

Tithonia rotundifolia

1 reference

Seven germacranolides and four eudesmanolides from Tithonia rotundifolia

Identifiers

InChI=1S/C20H26O6/c1-5-12(3)18(22)25-15-9-20(10-21)16(26-20)7-6-11(2)8-14-17(15)13(4)19(23)24-14/h5,8,14-17,21H,4,6-7,9-10H2,1-3H3/b11-8+,12-5-/t14-,15-,16+,17+,20+/m1/s1

0 references

YUTJTNWTRUUIQT-PBUZOFJMSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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