(Q76085407)

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Spiropachysine

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(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

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

mass

462.361014092 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(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

2 references

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

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

(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

(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

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@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@]5(C4)C6=CC=CC=C6C(=O)N5C)C)C)N(C)C

0 references

found in taxon

Pachysandra procumbens

2 references

stated in

Activity-guided isolation of steroidal alkaloid antiestrogen-binding site inhibitors from Pachysandra procumbens

stated in

Activity-guided isolation of steroidal alkaloid antiestrogen-binding site inhibitors from Pachysandra procumbens

Pachysandra terminalis

2 references

stated in

Anti-ulcer effect of steroidal alkaloids extracted from Pachysandra terminalis

stated in

Pachysandra alkaloids. XIII. Structure and stereochemistry of spiropachysine, a novel spiro-lactam alkaloid.

Pachysandra axillaris

1 reference

stated in

Isospiropachysine, a steroidal alkaloid from Pachysandra axillaris

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-PZOAWPBASA-N

0 references

0 references

1 reference

matched by identifier from

InChIKey

SLGWGPQWJRVPAD-PZOAWPBASA-N

1 reference

1 reference

matched by identifier from

InChIKey

SLGWGPQWJRVPAD-PZOAWPBASA-N

DSSTOX compound identifier

DTXCID101369793

0 references

(Q76085407)

Spiropachysine

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