(Q82941044)

English

4-(Acetyloxy)-13-{[3-{[tert-butoxy(hydroxy)methylidene]amino}-3-(furan-2-yl)-2-hydroxypropanoyl]oxy}-1,10-dihydroxy-9-oxo-7-(propanoyloxy)-5,20-epoxytax-11-en-2-yl benzoate

group of stereoisomers with the chemical formula C₄₄H₅₅NO₁₆

In more languages

edit

Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

0 references

mass

853.35208468 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₅₅NO₁₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(=O)c3ccccc3)C3(O)CC(OC(=O)C(O)C(N=C(O)OC(C)(C)C)c4ccco4)C(C)=C(C(O)C(=O)C12C)C3(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)C2C(OC(=O)c3ccccc3)[C@]3(O)CC(OC(=O)[C@H](O)[C@@H](N=C(O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](O)C(=O)[C@@]21C)C3(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C44H55NO16/c1-10-29(47)58-27-19-28-43(21-56-28,60-23(3)46)34-36(59-37(51)24-15-12-11-13-16-24)44(54)20-26(22(2)30(41(44,7)8)32(48)35(50)42(27,34)9)57-38(52)33(49)31(25-17-14-18-55-25)45-39(53)61-40(4,5)6/h11-18,26-28,31-34,36,48-49,54H,10,19-21H2,1-9H3,(H,45,53)/t26?,27-,28+,31-,32+,33+,34?,36?,42+,43-,44+/m0/s1

0 references

InChIKey

XIVMHSNIQAICTR-RNTIIBFJSA-N

0 references

0 references

1 reference

26 December 2021

1 reference

0 references

DSSTOX compound identifier

DTXCID501387903

0 references

(Q82941044)

4-(Acetyloxy)-13-{[3-{[tert-butoxy(hydroxy)methylidene]amino}-3-(furan-2-yl)-2-hydroxypropanoyl]oxy}-1,10-dihydroxy-9-oxo-7-(propanoyloxy)-5,20-epoxytax-11-en-2-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)