(Q105262981)

English

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

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

4-hydroxy-3,5,5-trimethyl-4-[(1E,3R)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

386.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E,3S)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3Z)-4-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl beta-D-glucopyranoside

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E,3R)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₀O₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

found in taxon

Cunila spicata

1 reference

stated in

Monoterpene Glucosides from Cunila spicata

Identifiers

InChI

InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13+,14+,15-,16+,17+,19-/m1/s1

0 references

InChIKey

SWYRVCGNMNAFEK-QHRMVJDQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SWYRVCGNMNAFEK-QHRMVJDQSA-N

(Q105262981)

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

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)