(Q82881709)

English

Herbaline

group of stereoisomers with the chemical formula C₂₃H₃₀N₂O₆

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Statements

group of stereoisomers

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mitraphylline-type alkaloid

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mitraphylline-type alkaloid

430.21038667999994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₃H₃₀N₂O₆

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canonical SMILES

COC(=O)C1COC(C)C2CN3CCC4(C(=O)Nc5cc(OC)c(OC)cc54)C3CC12

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isomeric SMILES

COC(=O)[C@H]1COC(C)C2CN3CCC4(C(=O)Nc5cc(OC)c(OC)cc54)C3CC21

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1 reference

Vinca Alkaloids

Identifiers

InChI=1S/C23H30N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,12-15,20H,5-7,10-11H2,1-4H3,(H,24,27)/t12?,13?,14?,15-,20?,23?/m0/s1

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RZTBBIIHQWIBBU-CATLCIQJSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID101340599

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