(Q104922327)

English

[(1S,3S,6R,8S,10R)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(1R,3S,6R,8R)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate

1 reference

1 reference

[(1S,3S,6R,8R)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

318.110338296 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3R,6S,8S,10S)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.0³,⁸]decan-10-yl]methyl benzoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₁₇H₁₈O₆

0 references

canonical SMILES

O=C(OCC1C2OC3(O)CC1C(=O)CC3(O2)C)C=4C=CC=CC4

0 references

isomeric SMILES

C[C@]12CC(=O)[C@@H]3C[C@]1(O)O[C@H](O2)[C@H]3COC(=O)c1ccccc1

0 references

found in taxon

Paeonia peregrina

1 reference

stated in

A monoterpene glucoside from Paeonia peregrina roots

Paeonia tenuifolia

1 reference

stated in

Monoterpene glycosides from Paeonia hybrida

Identifiers

InChI

InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12+,15+,16+,17+/m1/s1

0 references

InChIKey

BANPEMKDTXIFRE-PQTROMPISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BANPEMKDTXIFRE-PQTROMPISA-N

(Q104922327)

[(1S,3S,6R,8S,10R)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate

Statements

Identifiers

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