(Q104922324)

English

[(1S,3R,6S,8S,10S)-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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instance of

type of chemical entity

0 references

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

[(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

based on heuristic

inferred from SMILES

mass

318.110338296 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3S,6R,8S,10R)-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

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isomeric SMILES

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

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found in taxon

Paeonia rockii

1 reference

stated in

Triterpenoid constituents from the roots of Paeonia rockii ssp. rockii.

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-/m0/s1

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InChIKey

BANPEMKDTXIFRE-GMKCAIKYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BANPEMKDTXIFRE-GMKCAIKYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

BANPEMKDTXIFRE-GMKCAIKYSA-N

(Q104922324)

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

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Identifiers

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