(Q105134786)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

404.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₂O₉

0 references

canonical SMILES

O=C1CC(C)C(O)(C=CC(OC2OC(CO)C(O)C(O)C2O)CO)C(C)(C)C1

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isomeric SMILES

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

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found in taxon

Breynia officinalis

1 reference

stated in

Terpenic and phenolic glycosides from leaves of Breynia officinalis HEMSL.

Breynia vitis-idaea

1 reference

stated in

Terpenic and phenolic glycosides from leaves of Breynia officinalis HEMSL.

Cananga odorata

1 reference

stated in

Megastigmane glucosides and an unusual monoterpene from the leaves of Cananga odorata var. odorata, and absolute structures of megastigmane glucosides isolated from C. odorata var. odorata and Breynia officinalis.

Identifiers

InChI

InChI=1S/C19H32O9/c1-10-6-11(22)7-18(2,3)19(10,26)5-4-12(8-20)27-17-16(25)15(24)14(23)13(9-21)28-17/h4-5,10,12-17,20-21,23-26H,6-9H2,1-3H3/b5-4+/t10-,12-,13-,14-,15+,16-,17-,19-/m1/s1

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InChIKey

JTIZGDFRGKUHKK-MVNGFWRSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTIZGDFRGKUHKK-MVNGFWRSSA-N

1 reference

(Q105134786)

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

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