(Q105367286)

English

(3S,4aS,6aR,6bR,9S,10aR,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10a,11b-dimethyl-1,2,3,4,4a,6,6a,6b,9,10,11,11a-dodecahydrobenzo[a]fluoren-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-[1-(1,5-Dimethylpiperidin-2-yl)ethyl]-3-hydroxy-10a,11b-dimethyl-1,2,3,4,4a,6,6a,6b,9,10,11,11a-dodecahydrobenzo[a]fluoren-5-one

1 reference

based on heuristic

inferred from SMILES

(3S,4aS,6aR,6bS,9S,10aR,11aS,11bR)-9-[(1S)-1-(1,5-dimethylpiperidin-2-yl)ethyl]-3-hydroxy-10a,11b-dimethyl-1,2,3,4,4a,6,6a,6b,9,10,11,11a-dodecahydrobenzo[a]fluoren-5-one

1 reference

based on heuristic

inferred from SMILES

mass

427.34502968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4aS,6aS,6bR,9S,10aR,11aR,11bR)-9-[(1S)-1-[(2S,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10a,11b-dimethyl-1,2,3,4,4a,6,6a,6b,9,10,11,11a-dodecahydrobenzo[a]fluoren-5-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₈H₄₅NO₂

0 references

canonical SMILES

O=C1CC2C3C=CC(CC3(C)CC2C4(C)CCC(O)CC14)C(C)C5N(C)CC(C)CC5

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isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C)[C@@H]2C=C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@]3(C)C2)N(C)C1

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found in taxon

Fritillaria imperialis

1 reference

stated in

New class of steroidal alkaloids from Fritillaria imperialis

Identifiers

InChI

InChI=1S/C28H45NO2/c1-17-6-9-25(29(5)16-17)18(2)19-7-8-22-21-13-26(31)23-12-20(30)10-11-28(23,4)24(21)15-27(22,3)14-19/h7-8,17-25,30H,6,9-16H2,1-5H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,27+,28-/m0/s1

0 references

InChIKey

YWTDTKWYDRWAKX-GTGCLEEISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YWTDTKWYDRWAKX-GTGCLEEISA-N

(Q105367286)

(3S,4aS,6aR,6bR,9S,10aR,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10a,11b-dimethyl-1,2,3,4,4a,6,6a,6b,9,10,11,11a-dodecahydrobenzo[a]fluoren-5-one

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