(Q105267801)

English

TYYBJRHYBIULFL-MULNSITRSA-N

group of stereoisomers with the chemical formula C₄₂H₅₀N₄O₅

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Statements

group of stereoisomers

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vobasine alkaloid

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vobasine alkaloid

690.3781207000002 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₀N₄O₅

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canonical SMILES

O=C(OC)C1C2C(=CC)CN(C)C1CC=3C=4C=CC=CC4N(C3C(O)C2)C5C=6NC=7C=CC=CC7C6CC8N(C)CC(=CC)C(C5)C8C(=O)OC

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isomeric SMILES

CC=C1CN(C)C2Cc3c(n(C4CC5/C(=C\C)CN(C)C(Cc6c4[nH]c4ccccc64)C5C(=O)OC)c4ccccc34)C(O)CC1C2C(=O)OC

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C42H50N4O5/c1-7-23-21-44(3)33-18-29-25-13-9-11-15-31(25)43-39(29)35(17-27(23)37(33)41(48)50-5)46-32-16-12-10-14-26(32)30-19-34-38(42(49)51-6)28(20-36(47)40(30)46)24(8-2)22-45(34)4/h7-16,27-28,33-38,43,47H,17-22H2,1-6H3/b23-7-,24-8?

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TYYBJRHYBIULFL-MULNSITRSA-N

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