(Q105120752)

English

[(1S,2S,3S,5S,8R,9R,10S,11S,13R,16S)-5,9,11,16-tetraacetyloxy-2-benzoyloxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate

chemical compound

In more languages

default values for all languages

No label defined

No description defined

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[5,9,11,16-Tetraacetyloxy-2-benzoyloxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

776.304406216 dalton

1 reference

1 reference

C₄₂H₄₈O₁₄

0 references

canonical SMILES

O=C(OC1C2=C(C)C(OC(=O)C)CC2(C(OC(=O)C=3C=CC=CC3)C4C5(OC(=O)C)COC5CC(OC(=O)C)C4(C)C1OC(=O)C)C(O)(C)C)C=6C=CC=CC6

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]1[C@@H]2OC(=O)c1ccccc1

0 references

found in taxon

Taxus brevifolia

1 reference

stated in

Taxanes from the bark of Taxus brevifolia

Identifiers

InChI

InChI=1S/C42H48O14/c1-22-29(51-23(2)43)20-41(39(6,7)49)32(22)33(54-37(47)27-15-11-9-12-16-27)35(53-25(4)45)40(8)30(52-24(3)44)19-31-42(21-50-31,56-26(5)46)34(40)36(41)55-38(48)28-17-13-10-14-18-28/h9-18,29-31,33-36,49H,19-21H2,1-8H3/t29-,30-,31+,33+,34+,35-,36-,40+,41-,42-/m0/s1

0 references

InChIKey

IUPNQIBOKXONOJ-OXXKWLEUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IUPNQIBOKXONOJ-OXXKWLEUSA-N

(Q105120752)

[(1S,2S,3S,5S,8R,9R,10S,11S,13R,16S)-5,9,11,16-tetraacetyloxy-2-benzoyloxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] 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)