(Q105177360)

English

[(1R,2S,4S,5S,9R,10S,13R)-2-acetyloxy-5,9-dimethyl-14-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2-Acetyloxy-5,9-dimethyl-14-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₅

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C3CCC4C(=O)CC3(C4)C(OC(=O)C)CC12)C

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isomeric SMILES

CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@]13CC(=O)[C@H](CC[C@@H]21)C3

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found in taxon

Sideritis soluta

1 reference

stated in

A chemotaxonomic study of nine Canarian Sideritis species

Identifiers

InChI

InChI=1S/C23H34O5/c1-14(24)27-13-21(3)8-5-9-22(4)18-7-6-16-11-23(18,12-17(16)26)20(10-19(21)22)28-15(2)25/h16,18-20H,5-13H2,1-4H3/t16-,18+,19-,20+,21-,22+,23-/m1/s1

0 references

InChIKey

NCSYZCFTTYSTDM-RWLSQNHESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NCSYZCFTTYSTDM-RWLSQNHESA-N

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