(Q27136578)

Grandilodine B (English)

trimethyl (1R,9R,16R,18R)-13-oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

trimethyl (1R,9R,16R,18S)-13-oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₄H₂₆N₂O₇

1 reference

Grandilodine B (English)

7 October 2016

canonical SMILES

COC(=O)C1CC23CCC14C(CCN2C(=O)C=C3)(C5=CC=CC=C5N4C(=O)OC)C(=O)OC

1 reference

Grandilodine B (English)

7 October 2016

isomeric SMILES

COC(=O)[C@H]1C[C@@]23CC[C@]14[C@](CCN2C(=O)C=C3)(C5=CC=CC=C5N4C(=O)OC)C(=O)OC

1 reference

Grandilodines A-C, biologically active indole alkaloids from Kopsia grandifolia

Grandilodine B (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3/t16-,22-,23-,24-/m1/s1

1 reference

Grandilodine B (English)

VOHFPFMHDXIAOK-JUJUEEDWSA-N

7 October 2016

InChIKey

2 references

Grandilodine B (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Grandilodine B (English)

7 October 2016

2 references

Grandilodine B (English)

matched by identifier from

7 October 2016

InChIKey

VOHFPFMHDXIAOK-JUJUEEDWSA-N

ChEBI ID

68088

mapping relation type

2 references

Grandilodine B, (rel)- (English)