(Q105304413)

English

[(1R,2R,5R,6R,7R,8R,9S,12R)-7,8,12-triacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7,8,12-tris(acetyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

532.230847352 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,5S,6S,7S,8S,9R,12R)-7,8,12-triacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₆O₁₀

0 references

canonical SMILES

O=C(OC1CCC(O)(C)C23OC(C)(C)C(C(OC(=O)C)C(OC(=O)C)C12C)C3OC(=O)C)C=4C=CC=CC4

0 references

isomeric SMILES

CC(=O)O[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@@]3(OC2(C)C)[C@](C)(O)CC[C@@H](OC(=O)c2ccccc2)[C@]3(C)[C@H]1OC(C)=O

0 references

found in taxon

Orthosphenia mexicana

1 reference

stated in

Sesquiterpenes from Orthosphenia mexicana

Identifiers

InChI

InChI=1S/C28H36O10/c1-15(29)34-21-20-22(35-16(2)30)28(38-25(20,4)5)26(6,33)14-13-19(27(28,7)23(21)36-17(3)31)37-24(32)18-11-9-8-10-12-18/h8-12,19-23,33H,13-14H2,1-7H3/t19-,20+,21-,22-,23+,26-,27-,28-/m1/s1

0 references

InChIKey

WGDSITUJTHQBSE-UTFMTOTBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WGDSITUJTHQBSE-UTFMTOTBSA-N

(Q105304413)

[(1R,2R,5R,6R,7R,8R,9S,12R)-7,8,12-triacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

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