(Q105007745)

English

(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-Methyl-6-[[3,4,5-trihydroxy-6-[4-(4-hydroxy-2,2,6-trimethylcyclohexyl)butan-2-yloxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

522.304012292 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₆O₁₁

0 references

canonical SMILES

OC1CC(C)C(CCC(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C)C(C)(C)C1

0 references

isomeric SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H](C)CC[C@H]3[C@H](C)C[C@H](O)CC3(C)C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Sedum sarmentosum

1 reference

stated in

Bioactive constituents from Chinese natural medicines. XXIII. Absolute structures of new megastigmane glycosides, sedumosides A(4), A(5), A(6), H, and I, and hepatoprotective megastigmanes from Sedum sarmentosum.

Identifiers

InChI

InChI=1S/C25H46O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h11-24,26-32H,6-10H2,1-5H3/t11-,12-,13+,14+,15+,16-,17+,18+,19-,20+,21-,22-,23-,24-/m1/s1

0 references

InChIKey

GFRHCAYKATUNLG-GATRTASVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GFRHCAYKATUNLG-GATRTASVSA-N

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