(Q105247071)

English

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

group of stereoisomers with the chemical formula C₃₁H₃₆O₉

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instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

552.2359327319999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₃₆O₉

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canonical SMILES

O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(C)C(O)C(O)CC(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]2C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)[C@]3(C)C(O)C(O)C[C@@H](C)[C@@]13OC2(C)C

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Identifiers

InChI

InChI=1S/C31H36O9/c1-17-16-21(33)24(34)30(5)26(39-28(36)20-14-10-7-11-15-20)23(38-27(35)19-12-8-6-9-13-19)22-25(37-18(2)32)31(17,30)40-29(22,3)4/h6-15,17,21-26,33-34H,16H2,1-5H3/t17-,21?,22-,23?,24?,25-,26?,30+,31-/m1/s1

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InChIKey

RXJGROXJMCLPSB-IWZHGUIZSA-N

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PubChem CID

101637376

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RXJGROXJMCLPSB-IWZHGUIZSA-N

1 reference

(Q105247071)

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

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