(Q105255320)

English

(3S,5S,8R,9R,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

17-[1-(Dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

1 reference

based on heuristic

inferred from SMILES

(1S,9aS,11aS)-1-[1-(dimethylamino)ethyl]-2',9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydrospiro[cyclopenta[a]phenanthrene-7,1'-isoindol]-3'-one

1 reference

based on heuristic

inferred from SMILES

(1S,7R,9aS,11aS)-1-[1-(dimethylamino)ethyl]-2',9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydrospiro[cyclopenta[a]phenanthrene-7,1'-isoindol]-3'-one

1 reference

based on heuristic

inferred from SMILES

(3R,10S,13S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

1 reference

based on heuristic

inferred from SMILES

mass

462.361014092 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5R,8R,9R,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5S,8R,9S,10S,13R,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

1 reference

based on heuristic

inferred from InChI

(3R,5S,8S,9R,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

1 reference

based on heuristic

inferred from InChI

(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

1 reference

based on heuristic

inferred from InChI

(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₆N₂O

0 references

canonical SMILES

O=C1C=2C=CC=CC2C3(N1C)CCC4(C)C(CCC5C6CCC(C(N(C)C)C)C6(C)CCC54)C3

0 references

isomeric SMILES

C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1C(=O)N5C)N(C)C

0 references

found in taxon

Pachysandra terminalis

1 reference

stated in

Structure of spiropachysine a novel alkaloid from pachysandra terminalis sieb. et zucc

Identifiers

InChI

InChI=1S/C31H46N2O/c1-20(32(4)5)24-13-14-25-22-12-11-21-19-31(27-10-8-7-9-23(27)28(34)33(31)6)18-17-29(21,2)26(22)15-16-30(24,25)3/h7-10,20-22,24-26H,11-19H2,1-6H3/t20-,21-,22-,24+,25-,26+,29-,30+,31-/m0/s1

0 references

InChIKey

SLGWGPQWJRVPAD-GVTZYFGLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SLGWGPQWJRVPAD-GVTZYFGLSA-N

(Q105255320)

(3S,5S,8R,9R,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

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