(Q105341551)

English

[(1S,2R,3S,4R,7S,8Z,10R,12R,13R,14S)-2,10,12-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-14-yl] acetate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

(2,10,12-Triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-14-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

550.241412036 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,3R,4R,7S,8Z,10R,12S,13S,14S)-2,10,12-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-14-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1S,2S,3S,4R,7S,8Z,10R,12S,13R,14S)-2,10,12-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-14-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₁₁

0 references

canonical SMILES

O=C(OC1C(=CC2OC(=O)C(C)C2(O)C(OC(=O)C)C3C(=C)CCC(OC(=O)C)C3(C)C(OC(=O)C)C1)C)C

0 references

isomeric SMILES

C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@H]1[C@@H](OC(C)=O)[C@@]1(O)[C@H](/C=C(/C)[C@H](OC(C)=O)C[C@H]2OC(C)=O)OC(=O)[C@@H]1C

0 references

found in taxon

Junceella juncea

1 reference

stated in

New briaranes from the South China Sea gorgonian Junceella juncea

Junceella fragilis

2 references

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

stated in

The junceellolides, new anti-inflammatory diterpenoids of the briarane class from the chinese gorgonian junceella fragilis

Identifiers

InChI

InChI=1S/C28H38O11/c1-13-9-10-21(36-17(5)30)27(8)22(37-18(6)31)12-20(35-16(4)29)14(2)11-23-28(34,15(3)26(33)39-23)25(24(13)27)38-19(7)32/h11,15,20-25,34H,1,9-10,12H2,2-8H3/b14-11-/t15-,20+,21-,22+,23-,24+,25+,27+,28-/m0/s1

0 references

InChIKey

XTGNVOVMNXBAIQ-NKVWIPEVSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

XTGNVOVMNXBAIQ-NKVWIPEVSA-N

1 reference

(Q105341551)

[(1S,2R,3S,4R,7S,8Z,10R,12R,13R,14S)-2,10,12-triacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-14-yl] acetate

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)