(Q105136257)

English

(2S,3R,4S,5S,6R)-2-[[(1R,4S,5R,6S,7R,8S,9S)-5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-9-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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type of chemical entity

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1 reference

2-[(5-Chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-9-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

398.097974616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S,4S,5S,6R)-2-[[(1R,4S,5R,6S,7R,8S,9S)-5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-9-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₃ClO₁₀

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canonical SMILES

ClC1C(O)C2CC3OCC1(O)C2C(O3)OC4OC(CO)C(O)C(O)C4O

0 references

isomeric SMILES

OC[C@H]1O[C@@H](O[C@@H]2O[C@@H]3C[C@H]4[C@H](O)[C@@H](Cl)[C@@](O)(CO3)[C@@H]24)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Rehmannia glutinosa

1 reference

stated in

Five cyclopentanoid monoterpenes from Rehmannia glutinosa

Identifiers

InChI

InChI=1S/C15H23ClO10/c16-12-8(18)4-1-6-23-3-15(12,22)7(4)13(25-6)26-14-11(21)10(20)9(19)5(2-17)24-14/h4-14,17-22H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-,13+,14+,15-/m1/s1

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InChIKey

JWOORQMSHBLSDU-TUANDBMESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JWOORQMSHBLSDU-TUANDBMESA-N

(Q105136257)

(2S,3R,4S,5S,6R)-2-[[(1R,4S,5R,6S,7R,8S,9S)-5-chloro-4,6-dihydroxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-9-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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