(Q105214867)

English

(4aR,5aS,8aR,13aS,15aR,15bR)-15-[(2S,3E,12bR)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

10-[(3Z)-3-ethylidene-1H,2H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,9,14-pentaene

1 reference

based on heuristic

inferred from SMILES

10-{3-ethylidene-1H,2H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl}-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,9,14-pentaene

1 reference

based on heuristic

inferred from SMILES

mass

568.3202119 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aR,5aS,8aR,13aS,15aR,15bR)-15-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4aR,5aS,8aR,13aS,15aR,15bS)-15-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline

1 reference

based on heuristic

inferred from InChI

(4aR,5aS,8aR,13aS,15aR,15bR)-15-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₀N₄O

0 references

canonical SMILES

O1CC=C2CN3CCC45C=6C=CC=CC6N7C=C(C1C(C2CC34)C75)C8C(=CC)CN9CCC=%10C=%11C=CC=CC%11NC%10C9C8

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isomeric SMILES

C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CCN5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54

0 references

found in taxon

Strychnos ngouniensis

1 reference

stated in

Further alkaloids from strychnos longicaudata and strychnos ngouniensis

Identifiers

InChI

InChI=1S/C38H40N4O/c1-2-22-19-40-14-11-25-24-7-3-5-9-30(24)39-35(25)32(40)17-26(22)28-21-42-31-10-6-4-8-29(31)38-13-15-41-20-23-12-16-43-36(28)34(37(38)42)27(23)18-33(38)41/h2-10,12,21,26-27,32-34,36-37,39H,11,13-20H2,1H3/b22-2-/t26-,27-,32+,33-,34-,36-,37-,38+/m0/s1

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InChIKey

PTRWWFKHWVYDOM-VTGQLPFDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PTRWWFKHWVYDOM-VTGQLPFDSA-N

(Q105214867)

(4aR,5aS,8aR,13aS,15aR,15bR)-15-[(2S,3E,12bR)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline

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Identifiers

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