(Q104997501)

English

[(1S,2R,4R,5R,9S,10R,13S,14R,16S)-2-hydroxy-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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Statements

instance of

type of chemical entity

0 references

subclass of

(2-Hydroxy-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

362.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₄

0 references

canonical SMILES

O=C(OCC1(C)CCCC2(C)C3CCC4CC3(C(O)CC12)C5OC54C)C

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isomeric SMILES

CC(=O)OC[C@]1(C)CCC[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 leptoclada

1 reference

stated in

X-ray analysis of sideroxol from Sideritis leptoclada

Identifiers

InChI

InChI=1S/C22H34O4/c1-13(23)25-12-19(2)8-5-9-20(3)15-7-6-14-11-22(15,17(24)10-16(19)20)18-21(14,4)26-18/h14-18,24H,5-12H2,1-4H3/t14-,15+,16-,17+,18+,19-,20+,21+,22-/m0/s1

0 references

InChIKey

FLTYXZKPGBRODZ-HZMZQZHHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FLTYXZKPGBRODZ-HZMZQZHHSA-N

(Q104997501)

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

Statements

Identifiers

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