(Q105007580)

English

[(1S,2R,4R,5S,8R,9S,13R,14S,17S,18S,20S)-2-acetyloxy-5,9,13-trimethyl-22-oxo-19,21,24-trioxahexacyclo[16.5.1.01,20.04,17.05,14.08,13]tetracosan-9-yl]methyl acetate

chemical compound

In more languages

default for all languages

No label defined

No description defined

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[(1S,2R,4R,5S,9S,13R,17S,18S,20S)-2-(acetyloxy)-5,9,13-trimethyl-22-oxo-19,21,24-trioxahexacyclo[16.5.1.0¹,²⁰.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-9-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

(2-Acetyloxy-5,9,13-trimethyl-22-oxo-19,21,24-trioxahexacyclo[16.5.1.01,20.04,17.05,14.08,13]tetracosan-9-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

518.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4R,5S,8S,9S,13R,14S,17S,18R,20R)-2-acetyloxy-5,9,13-trimethyl-22-oxo-19,21,24-trioxahexacyclo[16.5.1.01,20.04,17.05,14.08,13]tetracosan-9-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₈

0 references

canonical SMILES

O=C(OCC1(C)CCCC2(C)C1CCC3(C)C4CC(OC(=O)C)C56OC(OC6OC(=O)C5)C4CCC32)C

0 references

isomeric SMILES

CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]5O[C@H]6OC(=O)C[C@]6(O5)[C@H](OC(C)=O)C[C@H]4[C@]3(C)CC[C@@H]12

0 references

found in taxon

Petrosaspongia nigra

1 reference

stated in

New cytotoxic sesterterpenes from the New Caledonian marine sponge Petrosaspongia nigra (Bergquist)

Identifiers

InChI

InChI=1S/C29H42O8/c1-16(30)33-15-26(3)10-6-11-28(5)20(26)9-12-27(4)19-13-22(34-17(2)31)29-14-23(32)35-25(29)36-24(37-29)18(19)7-8-21(27)28/h18-22,24-25H,6-15H2,1-5H3/t18-,19+,20-,21-,22+,24+,25+,26+,27-,28-,29-/m0/s1

0 references

InChIKey

GFJWSRNZIRIYFD-IRMSVATJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GFJWSRNZIRIYFD-IRMSVATJSA-N

(Q105007580)

[(1S,2R,4R,5S,8R,9S,13R,14S,17S,18S,20S)-2-acetyloxy-5,9,13-trimethyl-22-oxo-19,21,24-trioxahexacyclo[16.5.1.01,20.04,17.05,14.08,13]tetracosan-9-yl]methyl 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)