(Q105177333)

English

[(1S,2S,4S,5S,6S,7R,9R,12S)-12-acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[12-Acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

594.246497416 dalton

1 reference

1 reference

C₃₃H₃₈O₁₀

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canonical SMILES

O=C(OC1CC(C)C23OC(C)(C)C(CC(OC(=O)C=4C=CC=CC4)C2(COC(=O)C)C1O)C3OC(=O)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)OC[C@@]12[C@H](O)[C@@H](OC(=O)c3ccccc3)C[C@H](C)[C@]13OC(C)(C)[C@H](C[C@H]2OC(=O)c1ccccc1)[C@@H]3OC(C)=O

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found in taxon

Salacia chinensis

1 reference

stated in

Structures of new friedelane- and norfriedelane-type triterpenes and polyacylated eudesmane-type sesquiterpene from Salacia chinensis LINN. (S. prinoides DC., Hippocrateaceae) and radical scavenging activities of principal constituents

Identifiers

InChI

InChI=1S/C33H38O10/c1-19-16-25(41-29(37)22-12-8-6-9-13-22)27(36)32(18-39-20(2)34)26(42-30(38)23-14-10-7-11-15-23)17-24-28(40-21(3)35)33(19,32)43-31(24,4)5/h6-15,19,24-28,36H,16-18H2,1-5H3/t19-,24+,25-,26+,27+,28-,32+,33+/m0/s1

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InChIKey

NCRKYBJLAZLWCK-GPUVDODISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NCRKYBJLAZLWCK-GPUVDODISA-N

(Q105177333)

[(1S,2S,4S,5S,6S,7R,9R,12S)-12-acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate

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Identifiers

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