(Q104997654)

English

[(1S,2S,4R,5R,6R,7S,9R,12R)-7,12-diacetyloxy-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7,12-Diacetyloxy-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

516.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₉

0 references

canonical SMILES

O=C(OC1C(O)CC(O)(C)C23OC(C)(C)C(CC(OC(=O)C)C12C)C3OC(=O)C)C=CC=4C=CC=CC4

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isomeric SMILES

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

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found in taxon

Orthosphenia mexicana

1 reference

stated in

Sesquiterpenes from Orthosphenia mexicana

Identifiers

InChI

InChI=1S/C28H36O9/c1-16(29)34-21-14-19-23(35-17(2)30)28(37-25(19,3)4)26(5,33)15-20(31)24(27(21,28)6)36-22(32)13-12-18-10-8-7-9-11-18/h7-13,19-21,23-24,31,33H,14-15H2,1-6H3/b13-12+/t19-,20-,21+,23-,24+,26+,27-,28+/m1/s1

0 references

InChIKey

FLZISSGGAGGMDS-MKBHPRLISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FLZISSGGAGGMDS-MKBHPRLISA-N

(Q104997654)

[(1S,2S,4R,5R,6R,7S,9R,12R)-7,12-diacetyloxy-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] (E)-3-phenylprop-2-enoate

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