(Q105034971)

English

[(2S)-3-hydroxy-3-methyl-2-[5-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] hexadecanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[3-hydroxy-3-methyl-2-[5-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] hexadecanoate

1 reference

based on heuristic

inferred from SMILES

mass

525.41819462 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₅NO₃

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canonical SMILES

O=C(OCC(C1=CNC=2C=CC(=CC21)CC=C(C)C)C(O)(C)C)CCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(CC=C(C)C)cc12)C(C)(C)O

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found in taxon

Hexalobus crispiflorus

1 reference

stated in

New Di-isoprenylated Indole Derivatives from Hexalobus crispiflorus

Identifiers

InChI

InChI=1S/C34H55NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(36)38-26-31(34(4,5)37)30-25-35-32-23-22-28(24-29(30)32)21-20-27(2)3/h20,22-25,31,35,37H,6-19,21,26H2,1-5H3/t31-/m1/s1

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InChIKey

HXFWYUHXECJSGF-WJOKGBTCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HXFWYUHXECJSGF-WJOKGBTCSA-N

(Q105034971)

[(2S)-3-hydroxy-3-methyl-2-[5-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] hexadecanoate

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Identifiers

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