(Q104888845)

English

(3S,4aS,5R,6aR,6bS,9S,10aR,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10a,11b-dimethyl-2,3,4,4a,5,6,6a,6b,9,10,11,11a-dodecahydro-1H-benzo[a]fluorene-3,5-diol

chemical compound

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instance of

type of chemical entity

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subclass of

9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-10a,11b-dimethyl-2,3,4,4a,5,6,6a,6b,9,10,11,11a-dodecahydro-1H-benzo[a]fluorene-3,5-diol

1 reference

based on heuristic

inferred from SMILES

mass

429.360679744 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4aS,5R,6aR,6bR,9S,10aR,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10a,11b-dimethyl-2,3,4,4a,5,6,6a,6b,9,10,11,11a-dodecahydro-1H-benzo[a]fluorene-3,5-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₇NO₂

0 references

canonical SMILES

OC1CCC2(C)C(C1)C(O)CC3C4C=CC(CC4(C)CC32)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]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@]3(C)C2)N(C)C1

0 references

found in taxon

Fritillaria imperialis

2 references

stated in

New class of steroidal alkaloids from Fritillaria imperialis

stated in

New Class of Steroidal Alkaloids from Fritillaria imperialis

Identifiers

InChI

InChI=1S/C28H47NO2/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/h7-8,17-26,30-31H,6,9-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,25+,26+,27+,28-/m0/s1

0 references

InChIKey

WMVFFRXSRDHDPV-LEIMWKHHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WMVFFRXSRDHDPV-LEIMWKHHSA-N

1 reference

(Q104888845)

(3S,4aS,5R,6aR,6bS,9S,10aR,11aS,11bR)-9-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10a,11b-dimethyl-2,3,4,4a,5,6,6a,6b,9,10,11,11a-dodecahydro-1H-benzo[a]fluorene-3,5-diol

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Identifiers

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