(Q105387150)

English

[(1S,2S,5S,6S,7S,8S,9R,12R)-7,12-diacetyloxy-2,8-dihydroxy-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

7,12-bis(acetyloxy)-2,8-dihydroxy-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

490.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₄O₉

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canonical SMILES

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

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](O)[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@@](C)(O)CC[C@H](OC(=O)c2ccccc2)[C@@]13C

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found in taxon

Orthosphenia mexicana

1 reference

stated in

Sesquiterpenes from Orthosphenia mexicana

Identifiers

InChI

InChI=1S/C26H34O9/c1-14(27)32-20-18-19(29)21(33-15(2)28)25(6)17(34-22(30)16-10-8-7-9-11-16)12-13-24(5,31)26(20,25)35-23(18,3)4/h7-11,17-21,29,31H,12-13H2,1-6H3/t17-,18+,19-,20+,21+,24-,25-,26-/m0/s1

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InChIKey

ZZWFRDLJNYWCJW-YHVMSLOISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105387150)

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

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Identifiers

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