(Q105122215)

English

[(1S,4aS,5R,7S,7aS)-5-hydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-hydroxy-4,7-dimethyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

404.168247096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₈O₁₀

0 references

canonical SMILES

O=C(OC1(C)CC(O)C2C(=COC(OC3OC(CO)C(O)C(O)C3O)C21)C)C

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isomeric SMILES

CC(=O)O[C@@]1(C)C[C@@H](O)[C@@H]2C(C)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21

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found in taxon

wild basil

1 reference

stated in

Iridoid glucosides from Satureja Vulgaris

Identifiers

InChI

InChI=1S/C18H28O10/c1-7-6-25-16(12-11(7)9(21)4-18(12,3)28-8(2)20)27-17-15(24)14(23)13(22)10(5-19)26-17/h6,9-17,19,21-24H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15-,16+,17+,18+/m1/s1

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InChIKey

IXJKAIYQDPLVQL-XPHSJGKJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IXJKAIYQDPLVQL-XPHSJGKJSA-N

(Q105122215)

[(1S,4aS,5R,7S,7aS)-5-hydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate

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