(Q105006208)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-[1-[5-(hydroxymethyl)piperidin-2-yl]ethyl]-10,17-dimethyl-2,3,4,7,8,9,11,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

1 reference

based on heuristic

inferred from SMILES

mass

429.324294236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₃NO₃

0 references

canonical SMILES

OCC1CNC(CC1)C(C)C2(C3=CCC4C(CC=C5CC(O)CCC54C)C3CC2O)C

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isomeric SMILES

C[C@H]([C@@H]1CC[C@H](CO)CN1)[C@@]1(C)C2=CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2C[C@@H]1O

0 references

found in taxon

Fritillaria camtschatcensis

1 reference

stated in

Camtschatcanidine, an alkaloid from Fritillaria camtschatcensis

Identifiers

InChI

InChI=1S/C27H43NO3/c1-16(24-9-4-17(15-29)14-28-24)27(3)23-8-7-22-20(21(23)13-25(27)31)6-5-18-12-19(30)10-11-26(18,22)2/h5,8,16-17,19-22,24-25,28-31H,4,6-7,9-15H2,1-3H3/t16-,17+,19+,20+,21+,22+,24+,25+,26+,27+/m1/s1

0 references

InChIKey

GCDHTUKGDAYFNZ-QDFFDVMASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GCDHTUKGDAYFNZ-QDFFDVMASA-N

(Q105006208)

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

Statements

Identifiers

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