(Q104969709)

English

(1S,2S,4R)-1-[(3S)-3-hydroxybut-1-enyl]-2,6,6-trimethylcyclohexane-1,2,4-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(3-Hydroxybut-1-enyl)-2,6,6-trimethylcyclohexane-1,2,4-triol

1 reference

based on heuristic

inferred from SMILES

mass

244.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,4S)-1-[(1E,3R)-3-hydroxybut-1-en-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1-[(1E,3S)-3-Hydroxy-1-butenyl]-2,6,6-trimethylcyclohexane-1alpha,2beta,4alpha-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-O-p-coumaroyl-D-glucose, 2-O-acetate

1 reference

based on heuristic

inferred from InChIKey

7-Megastigmene-3,5,6,9-tetraol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₃H₂₄O₄

0 references

canonical SMILES

OC(C=CC1(O)C(O)(C)CC(O)CC1(C)C)C

0 references

isomeric SMILES

C[C@H](O)C=C[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O

0 references

found in taxon

Crataegus pinnatifida

1 reference

stated in

Terpenoids and hexenes from the leaves of Crataegus pinnatifida.

Identifiers

InChI

InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/t9-,10+,12-,13-/m0/s1

0 references

InChIKey

CTCKPFXFWVNGLG-LFSVMHDDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTCKPFXFWVNGLG-LFSVMHDDSA-N

(Q104969709)

(1S,2S,4R)-1-[(3S)-3-hydroxybut-1-enyl]-2,6,6-trimethylcyclohexane-1,2,4-triol

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Identifiers

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