(Q105014829)

English

[(1S,2R,5S,6S,7S,8R,9R,12R)-12-acetyloxy-7-benzoyloxy-5-hydroxy-2,6,10,10-tetramethyl-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

(12-Acetyloxy-7-benzoyloxy-5-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

536.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₆O₈

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canonical SMILES

O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(C)C(O)CCC(C)C43OC(C)(C)C1C4OC(=O)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](O)CC[C@@H](C)[C@@]13OC2(C)C

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found in taxon

Celastrus orbiculatus

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stated in

Cytotoxic dihydroagarofuranoid sesquiterpenes from the seeds of Celastrus orbiculatus

Tripterygium wilfordii

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stated in

Sesquiterpene esters, triptogelin A-1-A-4, from Tripterygium wilfordii var. Regelii

Identifiers

InChI

InChI=1S/C31H36O8/c1-18-16-17-22(33)30(5)26(38-28(35)21-14-10-7-11-15-21)24(37-27(34)20-12-8-6-9-13-20)23-25(36-19(2)32)31(18,30)39-29(23,3)4/h6-15,18,22-26,33H,16-17H2,1-5H3/t18-,22+,23-,24-,25-,26-,30+,31-/m1/s1

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InChIKey

GPHKPPRJMGREOG-DVLONLDQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GPHKPPRJMGREOG-DVLONLDQSA-N

1 reference

(Q105014829)

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

Statements

Identifiers

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