(Q105144964)

English

(15S,16R,19R)-15-ethyl-16-[(1R,9R,12R,19R)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl]-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aspidospermine / aspidofractine / kopsane alkaloid

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eburna / tacaman alkaloid

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mass

560.387897536 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₈N₄

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canonical SMILES

C=1C=CC2=C(C1)C3=C4N2CC(C5=CC=C6NC7CCC8(CC)CCCN9CCC7(C6=C5)C98)C%10(CC)CCCN(CC3)C4%10

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isomeric SMILES

CC[C@]12CCCN3CCc4c(n(c5ccccc45)C[C@@H]1c1ccc4c(c1)[C@]15CCN6CCC[C@](CC)(CC[C@H]1N4)[C@@H]65)[C@H]32

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found in taxon

Strempeliopsis strempelioides

1 reference

stated in

Alkaloids from Roots of Strempeliopsis strempelioides - Structures of Strempeliopine and Strempeliopidine1

Identifiers

InChI

InChI=1S/C38H48N4/c1-3-36-15-7-20-41-22-18-38(35(36)41)28-23-25(11-12-30(28)39-32(38)13-17-36)29-24-42-31-10-6-5-9-26(31)27-14-21-40-19-8-16-37(29,4-2)34(40)33(27)42/h5-6,9-12,23,29,32,34-35,39H,3-4,7-8,13-22,24H2,1-2H3/t29-,32-,34+,35-,36-,37+,38-/m1/s1

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InChIKey

KRFPTFLBQUGVOL-DBULHXIHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KRFPTFLBQUGVOL-DBULHXIHSA-N

(Q105144964)

(15S,16R,19R)-15-ethyl-16-[(1R,9R,12R,19R)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl]-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene

Statements

Identifiers

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