(Q105252618)

English

(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1S,4R)-5-hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[2-(5-Hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

558.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5S,6R)-2-[(2S)-2-[(1S,4R)-5-hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₁₂

0 references

canonical SMILES

OC=1C(OC)=C(C=C2C1C(C)CCC2C(C)COC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C

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isomeric SMILES

COc1c(C)cc2c(c1O)[C@H](C)CC[C@H]2[C@@H](C)CO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Alangium premnifolium

1 reference

stated in

Sesquiterpene glycosides and sesquilignan glycosides from stems of Alangium premnifolium

Identifiers

InChI

InChI=1S/C27H42O12/c1-11-5-6-14(15-7-12(2)25(35-4)21(31)18(11)15)13(3)8-36-27-24(34)22(32)20(30)17(39-27)10-38-26-23(33)19(29)16(28)9-37-26/h7,11,13-14,16-17,19-20,22-24,26-34H,5-6,8-10H2,1-4H3/t11-,13+,14+,16-,17-,19+,20-,22+,23-,24-,26+,27-/m1/s1

0 references

InChIKey

SGTULVUZPPHXQU-VYNMKBNTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105252618)

(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1S,4R)-5-hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

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Identifiers

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