(Q105173022)

English

[(E)-4-[[(1S,2R,4S,7Z,10R,11R)-4-(hydroxymethyl)-8-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl]oxy]-3-methyl-4-oxobut-2-enyl] (3S)-3-hydroxyoctadecanoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[4-[[4-(Hydroxymethyl)-8-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl]oxy]-3-methyl-4-oxobut-2-enyl] 3-hydroxyoctadecanoate

1 reference

based on heuristic

inferred from SMILES

mass

660.4237335 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-4-[[(1S,2S,4S,7E,10R,11R)-4-(hydroxymethyl)-8-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl]oxy]-3-methyl-4-oxobut-2-enyl] (3R)-3-hydroxyoctadecanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₈H₆₀O₉

0 references

canonical SMILES

O=C(OC1CC(=CCCC2(OC2C3OC(=O)C(=C)C13)CO)C)C(=CCOC(=O)CC(O)CCCCCCCCCCCCCCC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Eupatorium hyssopifolium

1 reference

stated in

Sesquiterpene lactones of Eupatorium hyssopifolium. Germacranolide with an unusual lipid ester side chain

Identifiers

InChI

InChI=1S/C38H60O9/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30(40)25-32(41)44-23-21-28(3)36(42)45-31-24-27(2)19-18-22-38(26-39)35(47-38)34-33(31)29(4)37(43)46-34/h19,21,30-31,33-35,39-40H,4-18,20,22-26H2,1-3H3/b27-19-,28-21+/t30-,31+,33+,34-,35+,38-/m0/s1

0 references

InChIKey

MVHKLUNQRGAKNA-RMNVFCLJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MVHKLUNQRGAKNA-RMNVFCLJSA-N

(Q105173022)

[(E)-4-[[(1S,2R,4S,7Z,10R,11R)-4-(hydroxymethyl)-8-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl]oxy]-3-methyl-4-oxobut-2-enyl] (3S)-3-hydroxyoctadecanoate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)