(Q105209049)

English

(2S,12bS)-3-ethenyl-11-[(2S)-1-methylpyrrolidin-2-yl]-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol

group of stereoisomers with the chemical formula C₃₅H₄₃N₅O

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Statements

instance of

group of stereoisomers

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subclass of

beta-carboline alkaloid

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inferred from

beta-carboline alkaloid

indolo[2,3-a]quinolizine alkaloid

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inferred from

indolo[2,3-a]quinolizine alkaloid

mass

549.3467609960001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₅H₄₃N₅O

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canonical SMILES

OC=1C=CC2=C(NC3=C2CCN4CC(C=C)C(CC5C=6NC=7C=CC=CC7C6CCN5C)CC34)C1C8N(C)CCC8

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isomeric SMILES

C=CC1CN2CCc3c([nH]c4c([C@@H]5CCCN5C)c(O)ccc34)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C

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Identifiers

InChI

InChI=1S/C35H43N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3/t21?,22-,28-,29-,30-/m0/s1

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InChIKey

PHLJPJICTIGOKC-QLDZTMMGSA-N

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PubChem CID

101624708

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PHLJPJICTIGOKC-QLDZTMMGSA-N

1 reference

(Q105209049)

(2S,12bS)-3-ethenyl-11-[(2S)-1-methylpyrrolidin-2-yl]-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol

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Identifiers

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