(Q105279240)

English

(3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

chemical compound

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Statements

instance of

type of chemical entity

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415.34502968 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

N-Desmethylpuqietinone

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based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₅NO₂

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canonical SMILES

O=C1CC2C3CCC(C(C)C4NCC(C)CC4)C3(C)CCC2C5(C)CCC(O)CC15

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isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)NC1

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found in taxon

Fritillaria monantha

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stated in

Steroidal alkaloids from the bulbs of Fritillaria puqiensis.

Fritillaria puqiensis

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stated in

Steroidal alkaloids from the bulbs of Fritillaria puqiensis.

Identifiers

InChI

InChI=1S/C27H45NO2/c1-16-5-8-24(28-15-16)17(2)20-6-7-21-19-14-25(30)23-13-18(29)9-11-27(23,4)22(19)10-12-26(20,21)3/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23+,24+,26-,27+/m0/s1

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InChIKey

UUCQCKZTFQEWEI-SKFHGIETSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UUCQCKZTFQEWEI-SKFHGIETSA-N

(Q105279240)

(3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

Statements

Identifiers

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