Alstolobine A, (rel)- (Q27138832)

CHEBI:70497 (English)

7 October 2016

chemical formula

C₂₂H₂₆N₂O₅

1 reference

CHEBI:70497 (English)

7 October 2016

canonical SMILES

CCOC(=O)N1CCC2C(C1)(OCC2(C3=CC4=CC=CC=C4N3)C(=O)OC)C=C

1 reference

CHEBI:70497 (English)

7 October 2016

isomeric SMILES

CCOC(=O)N1CC[C@H]2[C@@](C1)(OC[C@]2(C3=CC4=CC=CC=C4N3)C(=O)OC)C=C

1 reference

Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine

CHEBI:70497 (English)

7 October 2016

2 references

stated in

Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine

Identifiers

InChI

InChI=1S/C22H26N2O5/c1-4-21-13-24(20(26)28-5-2)11-10-17(21)22(14-29-21,19(25)27-3)18-12-15-8-6-7-9-16(15)23-18/h4,6-9,12,17,23H,1,5,10-11,13-14H2,2-3H3/t17-,21+,22-/m0/s1

1 reference

CHEBI:70497 (English)

XMPQHDBGVZIIJS-WTOYTKOKSA-N

7 October 2016

InChIKey

2 references

CHEBI:70497 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-Ethyl 3-methyl (3S,3aR,7aS)-3-(1H-indol-2-yl)-7a-vinylhexahydrofuro[2,3-c]pyridine-3,6(2H)-dicarboxylate (English)

7 October 2016

2 references

CHEBI:70497 (English)

matched by identifier from

7 October 2016

InChIKey

XMPQHDBGVZIIJS-WTOYTKOKSA-N

ChEBI ID

70497

mapping relation type

2 references

Alstolobine A, (rel)- (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H26N2O5/c1-4-21-13-24(20(26)28-5-2)11-10-17(21)22(14-29-21,19(25)27-3)18-12-15-8-6-7-9-16(15)23-18/h4,6-9,12,17,23H,1,5,10-11,13-14H2,2-3H3/t17-,21+,22-/m0/s1

1 reference