(Q27124842)

11-O-Demethyl-17-O-deacetylvindoline (English)

6 October 2016

chemical formula

C₂₂H₂₉N₂O₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC12C=CC[NH+]3C1C4(CC3)C(C(C2O)(C(=O)OC)O)N(C5=C4C=CC(=C5)O)C

1 reference

11-O-Demethyl-17-O-deacetylvindoline (English)

6 October 2016

isomeric SMILES

CC[C@@]12C=CC[NH+]3[C@@H]1[C@@]4(CC3)[C@H]([C@]([C@@H]2O)(C(=O)OC)O)N(C5=C4C=CC(=C5)O)C

1 reference

11-O-Demethyl-17-O-deacetylvindoline (English)

InChI=1S/C22H28N2O5/c1-4-20-8-5-10-24-11-9-21(16(20)24)14-7-6-13(25)12-15(14)23(2)17(21)22(28,18(20)26)19(27)29-3/h5-8,12,16-18,25-26,28H,4,9-11H2,1-3H3/p+1/t16-,17+,18+,20+,21-,22-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

11-O-Demethyl-17-O-deacetylvindoline (English)

MNCVVTFLNVITRD-WQMAJOMYSA-O

6 October 2016

InChIKey

1 reference

11-O-Demethyl-17-O-deacetylvindoline (English)

MNCVVTFLNVITRD-RLFCDOPRSA-O

6 October 2016

1 reference

stated in

ChEBI release 2020-09-01

1 reference

11-O-demethyl-17-O-deacetylvindolinium(1+) (English)

6 October 2016

1 reference

11-O-Demethyl-17-O-deacetylvindoline (English)

6 October 2016

ChEBI ID

57657

mapping relation type

2 references

11-O-demethyl-17-O-deacetylvindolinium(1+) (English)