(Q105020615)

English

[(1S,2R,4R,5R,6S,9S,10R,13S,14R,16S)-2,6-dihydroxy-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(2,6-Dihydroxy-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

378.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4S,5S,6S,9R,10S,13R,14S,16R)-2,6-dihydroxy-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4S,5S,6R,9R,10S,13R,14S,16R)-2,6-dihydroxy-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2S,4S,5S,6R,9R,10S,13S,14S,16R)-2,6-dihydroxy-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₅

0 references

canonical SMILES

O=C(OCC1(C)C(O)CCC2(C)C3CCC4CC3(C(O)CC12)C5OC54C)C

0 references

isomeric SMILES

CC(=O)OC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3([C@@H]3O[C@]43C)[C@H](O)C[C@H]21

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found in taxon

Sideritis ozturkii

1 reference

stated in

Three acylated flavone glycosides from Sideritis ozturkii Aytac & Aksoy

Identifiers

InChI

InChI=1S/C22H34O5/c1-12(23)26-11-20(3)15-9-17(25)22-10-13(21(4)18(22)27-21)5-6-14(22)19(15,2)8-7-16(20)24/h13-18,24-25H,5-11H2,1-4H3/t13-,14+,15+,16-,17+,18+,19+,20-,21+,22-/m0/s1

0 references

InChIKey

GUVFBAWLWKLHCF-NSSRISRFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GUVFBAWLWKLHCF-NSSRISRFSA-N

(Q105020615)

[(1S,2R,4R,5R,6S,9S,10R,13S,14R,16S)-2,6-dihydroxy-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methyl acetate

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Identifiers

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