(Q105187561)

English

(4R)-3,5,5-trimethyl-4-[(3S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4R)-3,5,5-trimethyl-4-[(3R)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

1 reference

1 reference

372.214803364 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(4R)-3,5,5-trimethyl-4-[(3R)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S)-3,5,5-trimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

1 reference

based on heuristic

inferred from InChI

(4S)-3,5,5-trimethyl-4-[(3R)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

1 reference

based on heuristic

inferred from InChI

(4R)-3,5,5-trimethyl-4-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₂O₇

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canonical SMILES

O=C1C=C(C)C(CCC(OC2OC(CO)C(O)C(O)C2O)C)C(C)(C)C1

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isomeric SMILES

CC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Brassica oleracea

1 reference

stated in

Chemical Constituents of the Leaves of Brassica oleracea var. acephala

Peperomia macrostachya

1 reference

stated in

New megastigmane glycoside and aromadendrane derivative from the aerial part of Piper elongatum

Peperomia macrostachyos

1 reference

stated in

New megastigmane glycoside and aromadendrane derivative from the aerial part of Piper elongatum

Identifiers

InChI

InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14+,15-,16-,17+,18+/m0/s1

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InChIKey

NYLNHNDMNOPWAZ-GJACTAIYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NYLNHNDMNOPWAZ-GJACTAIYSA-N

1 reference

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