(Q104912468)

English

[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-12-acetyloxy-5,7-dibenzoyloxy-4-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)-5,7-bis(benzoyloxy)-4-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

656.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₀O₁₀

0 references

canonical SMILES

O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(C)C(OC(=O)C=4C=CC=CC4)C(O)CC(C)C53OC(C)(C)C1C5OC(=O)C)C=6C=CC=CC6

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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](OC(=O)c4ccccc4)[C@@H](O)C[C@@H](C)[C@@]13OC2(C)C

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found in taxon

Tripterygium wilfordii

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C38H40O10/c1-22-21-27(40)30(46-34(42)25-17-11-7-12-18-25)37(5)32(47-35(43)26-19-13-8-14-20-26)29(45-33(41)24-15-9-6-10-16-24)28-31(44-23(2)39)38(22,37)48-36(28,3)4/h6-20,22,27-32,40H,21H2,1-5H3/t22-,27+,28-,29-,30+,31-,32-,37+,38-/m1/s1

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InChIKey

AHUFIGKVFOERTN-RSWJJYNZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AHUFIGKVFOERTN-RSWJJYNZSA-N

(Q104912468)

[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-12-acetyloxy-5,7-dibenzoyloxy-4-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate

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Identifiers

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