(Q105306881)

English

(R)-3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]butane-1,3-diol 1-palmitate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-hydroxy-3-methyl-2-[6-(3-methylbut-2-en-1-yl)-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

stereoisomer of

[(2S)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] hexadecanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₅₅NO₃

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canonical SMILES

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

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isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](c1c[nH]c2cc(CC=C(C)C)ccc12)C(C)(C)O

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found in taxon

Hexalobus crispiflorus

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stated in

Constituents of tropical medicinal plants, LXIX. The hexalobines, diprenylated indoles fromHexalobus crispiflorus andHexalobus monopetalus

Isolona congolana

1 reference

stated in

Constituents of Isolona maitlandii

Isolona maitlandii

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stated in

Constituents of Isolona maitlandii

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)30-25-35-32-24-28(21-20-27(2)3)22-23-29(30)32/h20,22-25,31,35,37H,6-19,21,26H2,1-5H3/t31-/m0/s1

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InChIKey

WJKJRPLMXNXGSG-HKBQPEDESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WJKJRPLMXNXGSG-HKBQPEDESA-N

1 reference

(Q105306881)

(R)-3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]butane-1,3-diol 1-palmitate

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