(Q105219548)

English

(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1S)-1-[(2S,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

chemical compound

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instance of

type of chemical entity

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subclass of

(2S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(1S)-1-(1,5-dimethylpiperidin-2-yl)ethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-2,7-diol

1 reference

1 reference

429.360679744 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,8S,9S,10R,13S,14S,16R,17R)-17-[(1S)-1-[(2R,5R)-1,5-dimethylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₇NO₂

0 references

canonical SMILES

OC1CC2=CCC3C(CCC4(C)C3CC(O)C4C(C)C5N(C)CC(C)CC5)C2(C)CC1

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isomeric SMILES

C[C@H]1CC[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)N(C)C1

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found in taxon

Fritillaria camtschatcensis

1 reference

stated in

Camtschatcanidine, an alkaloid from Fritillaria camtschatcensis

Identifiers

InChI

InChI=1S/C28H47NO2/c1-17-6-9-24(29(5)16-17)18(2)26-25(31)15-23-21-8-7-19-14-20(30)10-12-27(19,3)22(21)11-13-28(23,26)4/h7,17-18,20-26,30-31H,6,8-16H2,1-5H3/t17-,18+,20-,21+,22-,23-,24-,25-,26-,27-,28-/m0/s1

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InChIKey

QFHXSIDXKCKLAC-KIMRCJMESA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

QFHXSIDXKCKLAC-KIMRCJMESA-N

1 reference

(Q105219548)

(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1S)-1-[(2S,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

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