10-deacetyl-2-debenzoylbaccatin III (Q27104242)

10-Deacetyl-2-debenzoylbaccatin III (English)

5 October 2016

chemical formula

C₂₂H₃₂O₉

1 reference

10-Deacetyl-2-debenzoylbaccatin III (English)

5 October 2016

canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)O)(CO4)OC(=O)C)O)C)O

1 reference

10-Deacetyl-2-debenzoylbaccatin III (English)

5 October 2016

isomeric SMILES

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)O)(CO4)OC(=O)C)O)C)O

1 reference

10-Deacetyl-2-debenzoylbaccatin III (English)

InChI=1S/C22H32O9/c1-9-11(24)7-22(29)18(28)16-20(5,17(27)15(26)14(9)19(22,3)4)12(25)6-13-21(16,8-30-13)31-10(2)23/h11-13,15-16,18,24-26,28-29H,6-8H2,1-5H3/t11-,12-,13+,15+,16-,18-,20+,21-,22+/m0/s1

5 October 2016

Identifiers

InChI

1 reference

10-Deacetyl-2-debenzoylbaccatin III (English)

LHXBWTCSJBQSGI-QOBCYHTASA-N

5 October 2016

InChIKey

2 references

10-Deacetyl-2-debenzoylbaccatin III (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2alpha,5beta,7beta,10beta,13alpha)-1,2,7,10,13-Pentahydroxy-9-oxo-5,20-epoxytax-11-en-4-yl acetate (English)

5 October 2016

1 reference

10-Deacetyl-2-debenzoylbaccatin III (English)

5 October 2016

ChEBI ID

32897

mapping relation type

2 references

10-deacetyl-2-debenzoylbaccatin III (English)