(Q105180539)

English

[(1S,2R,6R,7R,10S,11R,16R,18R,19S,20S)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosan-18-yl] acetate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[6-(Furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosan-18-yl] acetate

1 reference

based on heuristic

inferred from SMILES

3-O-Acetylanthothecanolide

1 reference

based on heuristic

inferred from SMILES

mass

546.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,6S,7S,10R,11S,16S,18S,19R,20R)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosan-18-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₄O₁₁

0 references

canonical SMILES

O=C(OC1C2(O)CC34OC2(O)C5(COC(=O)CC5C1(C)C)C4CCC6(C)C(OC(=O)CC36O)C7=COC=C7)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1C(C)(C)[C@H]2CC(=O)OC[C@]23[C@@H]2CC[C@]4(C)[C@@H](c5ccoc5)OC(=O)C[C@]4(O)[C@]24C[C@@]1(O)[C@@]3(O)O4

0 references

found in taxon

Khaya anthotheca

1 reference

stated in

Four tetranortriterpenoids from the stem bark of Khaya anthotheca

Identifiers

InChI

InChI=1S/C28H34O11/c1-14(29)37-21-22(2,3)17-9-18(30)36-13-24(17)16-5-7-23(4)20(15-6-8-35-11-15)38-19(31)10-27(23,33)26(16)12-25(21,32)28(24,34)39-26/h6,8,11,16-17,20-21,32-34H,5,7,9-10,12-13H2,1-4H3/t16-,17+,20+,21+,23+,24-,25-,26-,27+,28-/m0/s1

0 references

InChIKey

NKDXTBIRGROVAP-VSOQNDAUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NKDXTBIRGROVAP-VSOQNDAUSA-N

(Q105180539)

[(1S,2R,6R,7R,10S,11R,16R,18R,19S,20S)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosan-18-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)