(Q105220791)

English

[(2R,3S,4S,5R,6S)-5-benzoyloxy-3,4-dihydroxy-6-[4-hydroxy-2-[[(1R)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[5-Benzoyloxy-3,4-dihydroxy-6-[4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

1 reference

1 reference

648.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6S)-5-benzoyloxy-3,4-dihydroxy-6-[4-hydroxy-2-[[(1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₃₂O₁₃

0 references

canonical SMILES

O=C(OCC1OC(OC2=CC=C(O)C=C2COC(=O)C3(O)C=CCCC3=O)C(OC(=O)C=4C=CC=CC4)C(O)C1O)C=5C=CC=CC5

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isomeric SMILES

O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2COC(=O)[C@@]2(O)C=CCCC2=O)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1

0 references

found in taxon

Itoa orientalis

2 references

stated in

Six insecticidal isoryanodane diterpenoids from the bark and twigs of Itoa orientalis

stated in

Itosides A – I, New Phenolic Glycosides fromItoa orientalis

Identifiers

InChI

InChI=1S/C34H32O13/c35-23-14-15-24(22(17-23)18-44-33(41)34(42)16-8-7-13-26(34)36)45-32-29(47-31(40)21-11-5-2-6-12-21)28(38)27(37)25(46-32)19-43-30(39)20-9-3-1-4-10-20/h1-6,8-12,14-17,25,27-29,32,35,37-38,42H,7,13,18-19H2/t25-,27-,28+,29-,32-,34-/m1/s1

0 references

InChIKey

QGZFGXHSODHGAW-MAMZCMHHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QGZFGXHSODHGAW-MAMZCMHHSA-N

(Q105220791)

[(2R,3S,4S,5R,6S)-5-benzoyloxy-3,4-dihydroxy-6-[4-hydroxy-2-[[(1R)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

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