(Q105349855)

English

[(1S,2R,3S,5S,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

480.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₃H₂₈O₁₁

0 references

canonical SMILES

O=C(OCC12C3OC4(O)CC(O3)(C)C2(OC5OC(CO)C(O)C(O)C5O)CC41)C=6C=CC=CC6

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isomeric SMILES

C[C@]12C[C@]3(O)O[C@H](O1)[C@@]1(COC(=O)c4ccccc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Paeonia anomala

1 reference

stated in

A chemical study of the roots of Paeonia anomala

Identifiers

InChI

InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13+,14-,15+,16-,18+,19+,20-,21-,22+,23-/m1/s1

0 references

InChIKey

YKRGDOXKVOZESV-JJRXUYKBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YKRGDOXKVOZESV-JJRXUYKBSA-N

(Q105349855)

[(1S,2R,3S,5S,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

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Identifiers

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