(Q105377601)

English

[(1S,2S,4S,5R,6S,7S,8S,9S,12R)-4,5-diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-7-(benzoyloxy)-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

668.24689134 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₀O₁₃

0 references

canonical SMILES

O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(COC(=O)C)C(OC(=O)C)C(OC(=O)C)CC(O)(C)C43OC(C)(C)C1C4O)C=5C=CC=CC5

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isomeric SMILES

CC(=O)OC[C@]12[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O

0 references

found in taxon

Tripterygium wilfordii

1 reference

stated in

Structural elucidation of triptofordins F-1, F-2, F-3, and F-4, new sesquiterpenes polyesters from Tripterygium wilfordii HOOK fil. var. regelii MAKINO

Identifiers

InChI

InChI=1S/C35H40O13/c1-19(36)43-18-34-28(45-21(3)38)24(44-20(2)37)17-33(6,42)35(34)27(39)25(32(4,5)48-35)26(46-30(40)22-13-9-7-10-14-22)29(34)47-31(41)23-15-11-8-12-16-23/h7-16,24-29,39,42H,17-18H2,1-6H3/t24-,25+,26-,27+,28-,29+,33-,34-,35-/m0/s1

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InChIKey

ZIWDLLSIYLUZFI-KXXFEKNDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZIWDLLSIYLUZFI-KXXFEKNDSA-N

(Q105377601)

[(1S,2S,4S,5R,6S,7S,8S,9S,12R)-4,5-diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate

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Identifiers

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