(Q105283646)

English

methyl 14-{2-[(1Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethyl-8-hydroxy-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-9-yl}-18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

group of stereoisomers with the chemical formula C₄₃H₅₂N₄O₇

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Statements

instance of

group of stereoisomers

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subclass of

indolo[2,3-a]quinolizine alkaloid

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inferred from

indolo[2,3-a]quinolizine alkaloid

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736.383600004 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₃H₅₂N₄O₇

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canonical SMILES

O=C(OC)C(=COC)C1CC2C=3NC=4C=CC(=C(O)C4C3CCN2CC1CC)C5N6CCC=7C=8C=CC=CC8NC7C6CC9C(C(=O)OC)C(O)CCC59

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isomeric SMILES

CCC1CN2CCc3c([nH]c4ccc(C5C6CCC(O)C(C(=O)OC)C6CC6c7[nH]c8ccccc8c7CCN65)c(O)c34)C2CC1/C(=C/OC)C(=O)OC

1 reference

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Structure elucidation of the binary indole alkaloid uncaramine

Uncaria elliptica

1 reference

stated in

Structure elucidation of the binary indole alkaloid uncaramine

Identifiers

InChI

InChI=1S/C43H52N4O7/c1-5-22-20-46-16-14-26-36-32(45-39(26)33(46)18-28(22)30(21-52-2)42(50)53-3)12-10-27(41(36)49)40-25-11-13-35(48)37(43(51)54-4)29(25)19-34-38-24(15-17-47(34)40)23-8-6-7-9-31(23)44-38/h6-10,12,21-22,25,28-29,33-35,37,40,44-45,48-49H,5,11,13-20H2,1-4H3/b30-21-

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InChIKey

VCDQJQMZNBIPGU-OFWBYEQRSA-N

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(Q105283646)

methyl 14-{2-[(1Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethyl-8-hydroxy-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-9-yl}-18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

Statements

Identifiers

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