(Q105254549)

English

[(1S,4S,5S,6R,9S,10R,12S,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-12-octanoyloxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] benzoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-12-octanoyloxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

594.319268432 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₆O₈

0 references

canonical SMILES

O=C(OC1C(=CC23C(=O)C(C=C(CO)C(O)C12O)C4C(OC(=O)CCCCCCC)(CC3C)C4(C)C)C)C=5C=CC=CC5

0 references

isomeric SMILES

CCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccccc5)[C@@]3(O)[C@H](O)C(CO)=C[C@H](C4=O)[C@@H]1C2(C)C

0 references

found in taxon

Euphorbia esula

1 reference

stated in

Ingenane diterpenoids from Euphorbia esula

Identifiers

InChI

InChI=1S/C35H46O8/c1-6-7-8-9-13-16-26(37)43-34-19-22(3)33-18-21(2)30(42-31(40)23-14-11-10-12-15-23)35(33,41)28(38)24(20-36)17-25(29(33)39)27(34)32(34,4)5/h10-12,14-15,17-18,22,25,27-28,30,36,38,41H,6-9,13,16,19-20H2,1-5H3/t22-,25+,27-,28-,30+,33+,34+,35+/m1/s1

0 references

InChIKey

SJTLTQOXTPVUHS-XUMIGGNASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SJTLTQOXTPVUHS-XUMIGGNASA-N

1 reference

(Q105254549)

[(1S,4S,5S,6R,9S,10R,12S,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-12-octanoyloxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] benzoate

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)