(Q105173539)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

piperidine alkaloids

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mass

429.360679744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₇NO₂

0 references

canonical SMILES

OC1CC2=CCC3C4CC(O)C(C)(C(C)C5N(C)CC(C)CC5)C4CCC3C2(C)CC1

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isomeric SMILES

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

0 references

found in taxon

Fritillaria camtschatcensis

2 references

stated in

Camtschatcanidine, an alkaloid from Fritillaria camtschatcensis

stated in

Two steroidal alkaloids, hapepunine and anrakorinine, from the mature Fritillaria camtschatcensis

Identifiers

InChI

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

0 references

InChIKey

MWEQQZGDXZUIEF-UZSBCAGNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MWEQQZGDXZUIEF-UZSBCAGNSA-N

(Q105173539)

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

Statements

Identifiers

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