(Q105181781)

English

(3R,5S,8R,9S,10R,13R,14S,17R)-3-hydroxy-17-[(1S)-1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-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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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

425.292994108 dalton

1 reference

1 reference

C₂₇H₃₉NO₃

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canonical SMILES

O=C1CC2C3CCC(C(C4=NC=C(C=C4O)C)C)C3(C)CCC2C5(C)CCC(O)CC15

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isomeric SMILES

Cc1cnc([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)c(O)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/C27H39NO3/c1-15-11-24(31)25(28-14-15)16(2)19-5-6-20-18-13-23(30)22-12-17(29)7-9-27(22,4)21(18)8-10-26(19,20)3/h11,14,16-22,29,31H,5-10,12-13H2,1-4H3/t16-,17+,18+,19+,20-,21-,22+,26-,27+/m0/s1

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InChIKey

NMHCTUTYNGBHMC-SCIXCXMXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NMHCTUTYNGBHMC-SCIXCXMXSA-N

(Q105181781)

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

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