(Q105033641)

English

[(1R,3R,4S,5S,6S,8S,10R,12R,15S,16R)-4,5-dihydroxy-6-(hydroxymethyl)-10-methyl-14-oxo-2,7,9,13-tetraoxapentacyclo[8.7.0.01,15.03,8.012,16]heptadecan-15-yl]methyl benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

pinane monoterpenoid

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mass

462.152597032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₆O₁₀

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canonical SMILES

O=C(OCC12C(=O)OC3CC4(OC5OC(CO)C(O)C(O)C5OC42CC31)C)C=6C=CC=CC6

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isomeric SMILES

C[C@@]12C[C@H]3OC(=O)[C@]4(COC(=O)c5ccccc5)[C@H]3C[C@@]41O[C@H]1[C@@H](O[C@@H](CO)[C@@H](O)[C@@H]1O)O2

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found in taxon

Paeonia tenuifolia

1 reference

stated in

Monoterpene glycosides from Paeonia hybrida

Identifiers

InChI

InChI=1S/C23H26O10/c1-21-8-13-12-7-23(21,32-17-16(26)15(25)14(9-24)30-19(17)33-21)22(12,20(28)31-13)10-29-18(27)11-5-3-2-4-6-11/h2-6,12-17,19,24-26H,7-10H2,1H3/t12-,13+,14-,15+,16-,17+,19-,21+,22-,23-/m0/s1

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InChIKey

HTVSRJICWNFJDT-RMKYHIKQSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HTVSRJICWNFJDT-RMKYHIKQSA-N

1 reference

(Q105033641)

[(1R,3R,4S,5S,6S,8S,10R,12R,15S,16R)-4,5-dihydroxy-6-(hydroxymethyl)-10-methyl-14-oxo-2,7,9,13-tetraoxapentacyclo[8.7.0.01,15.03,8.012,16]heptadecan-15-yl]methyl benzoate

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Identifiers

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