(Q105246242)

English

[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

514.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₁₂

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canonical SMILES

O=C(OC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C2=CCC(CC2)C(O)(C)C

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isomeric SMILES

CC(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC[C@H](C(C)(C)O)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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found in taxon

Cunila spicata

1 reference

stated in

Monoterpene Glucosides from Cunila spicata

Identifiers

InChI

InChI=1S/C24H34O12/c1-12(25)31-11-18-19(32-13(2)26)20(33-14(3)27)21(34-15(4)28)23(35-18)36-22(29)16-7-9-17(10-8-16)24(5,6)30/h7,17-21,23,30H,8-11H2,1-6H3/t17-,18+,19+,20-,21+,23-/m0/s1

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InChIKey

RVQWXKAZGHLAJI-CTAFWJRSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RVQWXKAZGHLAJI-CTAFWJRSSA-N

(Q105246242)

[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

Statements

Identifiers

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