(Q104923085)

English

[(2R,3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-2-methylheptyl] hydrogen sulfate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

24-O-Desuifo-26-sulfooxysqualamine

1 reference

based on heuristic

inferred from SMILES

[6-[3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-2-methylheptyl] hydrogen sulfate

1 reference

based on heuristic

inferred from SMILES

mass

643.4594078 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₆₅N₃O₆S

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canonical SMILES

O=S(=O)(O)OCC(C)C(O)CCC(C)C1CCC2C3C(O)CC4CC(NCCCNCCCCN)CCC4(C)C3CCC12C

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isomeric SMILES

C[C@H](COS(=O)(=O)O)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](NCCCNCCCCN)C[C@@H]1C[C@H]3O

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found in taxon

Spiny dogfish shark

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stated in

Aminosterols from the dogfish shark Squalus acanthias

Identifiers

InChI

InChI=1S/C34H65N3O6S/c1-23(8-11-30(38)24(2)22-43-44(40,41)42)27-9-10-28-32-29(13-15-34(27,28)4)33(3)14-12-26(20-25(33)21-31(32)39)37-19-7-18-36-17-6-5-16-35/h23-32,36-39H,5-22,35H2,1-4H3,(H,40,41,42)/t23-,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1

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InChIKey

BBVHNXGALDVEEE-BAHFKYBUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104923085)

[(2R,3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-2-methylheptyl] hydrogen sulfate

Statements

Identifiers

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