(Q105328148)

English

[(1S,2R,5S,6S,7S,9R,12R)-5-acetyloxy-7-benzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] furan-3-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5-Acetyloxy-7-benzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl) furan-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

510.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₈

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canonical SMILES

O=C(OC1CC2C(OC(=O)C3=COC=C3)C4(OC2(C)C)C(C)CCC(OC(=O)C)C14C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(=O)c1ccoc1

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found in taxon

Celastrus orbiculatus

1 reference

stated in

Sesquiterpene Esters fromCelastrus orbiculatusand Their Structure−Activity Relationship on the Modulation of Multidrug Resistance

Identifiers

InChI

InChI=1S/C29H34O8/c1-17-11-12-22(34-18(2)30)28(5)23(35-25(31)19-9-7-6-8-10-19)15-21-24(29(17,28)37-27(21,3)4)36-26(32)20-13-14-33-16-20/h6-10,13-14,16-17,21-24H,11-12,15H2,1-5H3/t17-,21-,22+,23+,24-,28+,29-/m1/s1

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InChIKey

XHKDZAFGGYISKF-IDWYPADMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XHKDZAFGGYISKF-IDWYPADMSA-N

1 reference

(Q105328148)

[(1S,2R,5S,6S,7S,9R,12R)-5-acetyloxy-7-benzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] furan-3-carboxylate

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Identifiers

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