(Q105262894)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

16,28-Secosolanid-5-en-3-ol, (3beta)-

1 reference

based on heuristic

inferred from SMILES

mass

399.35011506 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₅NO

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canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)C5NCC(C)CC5)C2(C)CC1

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isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1

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found in taxon

Veratrum oblongum

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stated in

A steroidal alkaloid from Veratrum oblongum

Identifiers

InChI

InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3/t17-,18-,20-,21+,22+,23-,24-,25+,26-,27+/m0/s1

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InChIKey

SWTXHUUBYZNDAJ-VRGRAEQESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105262894)

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

Statements

Identifiers

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