(Q105151628)

English

[(2S)-2-tetradecanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadecanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-Tetradecanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadecanoate

1 reference

based on heuristic

inferred from SMILES

mass

892.612322116 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₈₈O₁₅

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canonical SMILES

O=C(OCC(OC(=O)CCCCCCCCCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCC

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found in taxon

Ocimum tenuiflorum

1 reference

stated in

Constituents of Ocimum sanctum with antistress activity

Identifiers

InChI

InChI=1S/C47H88O15/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-19-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h35-37,40-48,51-56H,3-34H2,1-2H3/t35-,36-,37-,40-,41-,42+,43+,44-,45-,46+,47+/m1/s1

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InChIKey

LGYCXVJXWRPVSQ-GSYQMMAASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LGYCXVJXWRPVSQ-GSYQMMAASA-N

(Q105151628)

[(2S)-2-tetradecanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadecanoate

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Identifiers

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