(Q105156688)

English

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,4S,5R)-4-[(3S)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,3,5-trimethylcyclohexyl]oxyoxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[4-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,3,5-trimethylcyclohexyl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

554.293841532 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₆O₁₃

0 references

canonical SMILES

OCC(OC1OC(CO)C(O)C(O)C1O)CCC2C(C)CC(OC3OC(CO)C(O)C(O)C3O)CC2(C)C

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isomeric SMILES

C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@H]1CC[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

Sedum sarmentosum

2 references

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.

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/C25H46O13/c1-11-6-13(36-24-22(34)20(32)18(30)16(10-28)38-24)7-25(2,3)14(11)5-4-12(8-26)35-23-21(33)19(31)17(29)15(9-27)37-23/h11-24,26-34H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1

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InChIKey

LSNZLSXCUOMLFW-UMARSYFPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LSNZLSXCUOMLFW-UMARSYFPSA-N

1 reference

(Q105156688)

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,4S,5R)-4-[(3S)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,3,5-trimethylcyclohexyl]oxyoxane-3,4,5-triol

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